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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (130,195)
Phenols (25,097)
Naphthalenes (6,366)
Phenol esters (4,814)
Unsubstituted Phenols (1,453)
Fluorenes (1,280)
Thiophenols (762)
Anthracenes (515)
Indanes (488)
Phenanthrenes and derivatives (364)
Tetralins (337)
Triphenyl compounds (278)
Pyrenes (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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3,991 – 4,005 of 159,106 results
3,991
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2-(Difluoromethoxy)benzylamine, 97%, Thermo Scientific Chemicals

CAS: 243863-36-7 Molecular Formula: C8H9F2NO Molecular Weight (g/mol): 173.163 MDL Number: MFCD00236229 InChI Key: GGXXUJUQXAOYPK-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine PubChem CID: 1514062 IUPAC Name: [2-(difluoromethoxy)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)OC(F)F

PubChem CID 1514062
CAS 243863-36-7
Molecular Weight (g/mol) 173.163
MDL Number MFCD00236229
SMILES C1=CC=C(C(=C1)CN)OC(F)F
Synonym 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine
IUPAC Name [2-(difluoromethoxy)phenyl]methanamine
InChI Key GGXXUJUQXAOYPK-UHFFFAOYSA-N
Molecular Formula C8H9F2NO
3,992

1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]pyrrolidine, 97%, Thermo Scientific™

CAS: 884507-39-5 Molecular Formula: C17H26BNO2 Molecular Weight (g/mol): 287.21 MDL Number: MFCD08690299 InChI Key: AGSIDMRVRGPBIE-UHFFFAOYSA-N Synonym: 1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl pyrrolidine,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,4-pyrrolidine methyl phenylboronic acid pinacol ester,pyrrolidine,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl,4-pyrrolidinomethyl phenylboronic acid, pinacol ester,amtb121,4-1-pyrroldinylmethyl benzeneboronic acid pinacol ester,4-pyrrolidin-1-ylmethyl phenylboronic acid pinacol ester PubChem CID: 18525868 SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCCC2)C=C1

PubChem CID 18525868
CAS 884507-39-5
Molecular Weight (g/mol) 287.21
MDL Number MFCD08690299
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCCC2)C=C1
Synonym 1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl pyrrolidine,1-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl pyrrolidine,4-pyrrolidine methyl phenylboronic acid pinacol ester,pyrrolidine,1-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl,4-pyrrolidinomethyl phenylboronic acid, pinacol ester,amtb121,4-1-pyrroldinylmethyl benzeneboronic acid pinacol ester,4-pyrrolidin-1-ylmethyl phenylboronic acid pinacol ester
InChI Key AGSIDMRVRGPBIE-UHFFFAOYSA-N
Molecular Formula C17H26BNO2
3,993
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2-Methoxybenzylamine, 98%

CAS: 6850-57-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008110 InChI Key: PXJACNDVRNAFHD-UHFFFAOYSA-N Synonym: 2-methoxybenzylamine,2-methoxyphenyl methanamine,o-methoxybenzylamine,benzenemethanamine, 2-methoxy,2-methoxy-benzylamine,2-methoxyphenyl methylamine,1-2-methoxyphenyl methanamine,2-methyoxybenzylamine,2-methoxy benzylamine,2-methoxybenzyl amine PubChem CID: 81292 IUPAC Name: (2-methoxyphenyl)methanamine SMILES: COC1=CC=CC=C1CN

PubChem CID 81292
CAS 6850-57-3
Molecular Weight (g/mol) 137.18
MDL Number MFCD00008110
SMILES COC1=CC=CC=C1CN
Synonym 2-methoxybenzylamine,2-methoxyphenyl methanamine,o-methoxybenzylamine,benzenemethanamine, 2-methoxy,2-methoxy-benzylamine,2-methoxyphenyl methylamine,1-2-methoxyphenyl methanamine,2-methyoxybenzylamine,2-methoxy benzylamine,2-methoxybenzyl amine
IUPAC Name (2-methoxyphenyl)methanamine
InChI Key PXJACNDVRNAFHD-UHFFFAOYSA-N
Molecular Formula C8H11NO
3,994
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[(N-Benzyl-N-methylammonium)methyl]trifluoroborate internal salt, 95 %, Thermo Scientific Chemicals

CAS: 1268341-00-9 Molecular Formula: C9H13BF3N Molecular Weight (g/mol): 203.015 MDL Number: MFCD20134169 InChI Key: JRTRNQRZOUGDCI-UHFFFAOYSA-O Synonym: n-benzyl-n-methylammonium methyl trifluoroborate internal salt,benzyl methyl ammonio methyl trifluoroboranuide PubChem CID: 53243645 IUPAC Name: [benzyl(methyl)azaniumyl]methyl-trifluoroboranuide SMILES: [B-](C[NH+](C)CC1=CC=CC=C1)(F)(F)F

PubChem CID 53243645
CAS 1268341-00-9
Molecular Weight (g/mol) 203.015
MDL Number MFCD20134169
SMILES [B-](C[NH+](C)CC1=CC=CC=C1)(F)(F)F
Synonym n-benzyl-n-methylammonium methyl trifluoroborate internal salt,benzyl methyl ammonio methyl trifluoroboranuide
IUPAC Name [benzyl(methyl)azaniumyl]methyl-trifluoroboranuide
InChI Key JRTRNQRZOUGDCI-UHFFFAOYSA-O
Molecular Formula C9H13BF3N
3,995

3-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]benzonitrile, 97%, Thermo Scientific™

CAS: 910036-91-8 Molecular Formula: C14H19N3 Molecular Weight (g/mol): 229.327 MDL Number: MFCD09702379 InChI Key: WCQJGGDNUFLTPA-UHFFFAOYSA-N Synonym: 3-4-methylhomopiperazin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazepan-1-yl methyl benzonitrile,3-4-methylperhydro-1,4-diazepin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazaperhydroepinyl methyl benzenecarbonitrile,benzonitrile,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl PubChem CID: 24229556 IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile SMILES: CN1CCCN(CC1)CC2=CC=CC(=C2)C#N

PubChem CID 24229556
CAS 910036-91-8
Molecular Weight (g/mol) 229.327
MDL Number MFCD09702379
SMILES CN1CCCN(CC1)CC2=CC=CC(=C2)C#N
Synonym 3-4-methylhomopiperazin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazepan-1-yl methyl benzonitrile,3-4-methylperhydro-1,4-diazepin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazaperhydroepinyl methyl benzenecarbonitrile,benzonitrile,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl
IUPAC Name 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
InChI Key WCQJGGDNUFLTPA-UHFFFAOYSA-N
Molecular Formula C14H19N3
3,996

[3-(Morpholinomethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 91271-64-6 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD07772831 InChI Key: KFSCOCJCNMSXOK-UHFFFAOYSA-N Synonym: 3-morpholinomethyl phenyl methanol,3-morpholin-4-ylmethyl phenyl methanol,3-4-morpholinylmethyl benzenemethanol,3-morpholin-4-ylmethyl phenyl methan-1-ol PubChem CID: 7162057 IUPAC Name: [3-(morpholin-4-ylmethyl)phenyl]methanol SMILES: C1COCCN1CC2=CC(=CC=C2)CO

PubChem CID 7162057
CAS 91271-64-6
Molecular Weight (g/mol) 207.273
MDL Number MFCD07772831
SMILES C1COCCN1CC2=CC(=CC=C2)CO
Synonym 3-morpholinomethyl phenyl methanol,3-morpholin-4-ylmethyl phenyl methanol,3-4-morpholinylmethyl benzenemethanol,3-morpholin-4-ylmethyl phenyl methan-1-ol
IUPAC Name [3-(morpholin-4-ylmethyl)phenyl]methanol
InChI Key KFSCOCJCNMSXOK-UHFFFAOYSA-N
Molecular Formula C12H17NO2
3,997

4-(4-Methylperhydro-1,4-diazepin-1-yl)benzylamine, 97%, Thermo Scientific™

CAS: 448934-01-8 Molecular Formula: C13H21N3 Molecular Weight (g/mol): 219.332 MDL Number: MFCD08690316 InChI Key: GYRJZJZERXFNLI-UHFFFAOYSA-N Synonym: 4-4-methyl-1,4-diazepan-1-yl benzylamine,4-4-methylperhydro-1,4-diazepin-1-yl benzylamine,4-4-methyl-1,4-diazepan-1-yl phenyl methanamine,1-4-4-methyl-1,4-diazepan-1-yl phenyl methanamine,benzenemethanamine,4-hexahydro-4-methyl-1h-1,4-diazepin-1-yl,4-4-methylhexahydro-1,4-diazepin-1-yl benzylamine,4-4-methyl-1,4-diazaperhydroepinyl phenyl methylamine PubChem CID: 18525905 IUPAC Name: [4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine SMILES: CN1CCCN(CC1)C2=CC=C(C=C2)CN

PubChem CID 18525905
CAS 448934-01-8
Molecular Weight (g/mol) 219.332
MDL Number MFCD08690316
SMILES CN1CCCN(CC1)C2=CC=C(C=C2)CN
Synonym 4-4-methyl-1,4-diazepan-1-yl benzylamine,4-4-methylperhydro-1,4-diazepin-1-yl benzylamine,4-4-methyl-1,4-diazepan-1-yl phenyl methanamine,1-4-4-methyl-1,4-diazepan-1-yl phenyl methanamine,benzenemethanamine,4-hexahydro-4-methyl-1h-1,4-diazepin-1-yl,4-4-methylhexahydro-1,4-diazepin-1-yl benzylamine,4-4-methyl-1,4-diazaperhydroepinyl phenyl methylamine
IUPAC Name [4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
InChI Key GYRJZJZERXFNLI-UHFFFAOYSA-N
Molecular Formula C13H21N3
3,998
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3-(Benzyldimethylammonio)propanesulfonate, 95%

CAS: 81239-45-4 Molecular Formula: C12H19NO3S Molecular Weight (g/mol): 257.35 MDL Number: MFCD00225018 InChI Key: MEJASPJNLSQOAG-UHFFFAOYSA-N Synonym: ndsb-256,3-benzyl dimethyl ammonio propane-1-sulfonate,3-benzyldimethylammonio propane-1-sulfonate,dimethylbenzylammonium propane sulfonate,3-benzyl dimethyl ammonio propane-1-sulphonate,ndsb 256,dmx,3-benzyldimethylammonio propanesulfonate,3-dimethylbenzylamino propanesulfonic acid,3-benzyl dimethyl azaniumyl propane-1-sulfonate PubChem CID: 4386830 IUPAC Name: 3-[benzyl(dimethyl)azaniumyl]propane-1-sulfonate SMILES: C[N+](C)(CCCS([O-])(=O)=O)CC1=CC=CC=C1

PubChem CID 4386830
CAS 81239-45-4
Molecular Weight (g/mol) 257.35
MDL Number MFCD00225018
SMILES C[N+](C)(CCCS([O-])(=O)=O)CC1=CC=CC=C1
Synonym ndsb-256,3-benzyl dimethyl ammonio propane-1-sulfonate,3-benzyldimethylammonio propane-1-sulfonate,dimethylbenzylammonium propane sulfonate,3-benzyl dimethyl ammonio propane-1-sulphonate,ndsb 256,dmx,3-benzyldimethylammonio propanesulfonate,3-dimethylbenzylamino propanesulfonic acid,3-benzyl dimethyl azaniumyl propane-1-sulfonate
IUPAC Name 3-[benzyl(dimethyl)azaniumyl]propane-1-sulfonate
InChI Key MEJASPJNLSQOAG-UHFFFAOYSA-N
Molecular Formula C12H19NO3S
3,999

Benzyltrimethylammonium hydroxide, 40% w/w aq. soln.

CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]

PubChem CID 66854
CAS 100-85-6
Molecular Weight (g/mol) 167.252
MDL Number MFCD00008281
SMILES C[N+](C)(C)CC1=CC=CC=C1.[OH-]
Synonym benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide
IUPAC Name benzyl(trimethyl)azanium;hydroxide
InChI Key NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Molecular Formula C10H17NO
4,000

3-(Pyrrolidin-1-ylmethyl)aniline, 97%, Thermo Scientific™

CAS: 183365-31-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 InChI Key: RZDBCURLSQNEAD-UHFFFAOYSA-N Synonym: 3-pyrrolidin-1-ylmethyl aniline,3-pyrrolidin-1-ylmethyl-phenylamine,benzenamine, 3-1-pyrrolidinylmethyl,3-1-pyrrolidinylmethyl aniline,3-pyrrolidinylmethyl phenylamine,3-pyrrolidinylmethylaniline,3-pyrrolidin-1-ylmethyl-aniline,3-1-pyrrolidinylmethyl benzenamine,3-pyrrolidin-1-yl-methyl-aniline,3-pyrrolidin-1-yl methyl aniline PubChem CID: 1096407 IUPAC Name: 3-(pyrrolidin-1-ylmethyl)aniline SMILES: C1CCN(C1)CC2=CC(=CC=C2)N

PubChem CID 1096407
CAS 183365-31-3
Molecular Weight (g/mol) 176.263
SMILES C1CCN(C1)CC2=CC(=CC=C2)N
Synonym 3-pyrrolidin-1-ylmethyl aniline,3-pyrrolidin-1-ylmethyl-phenylamine,benzenamine, 3-1-pyrrolidinylmethyl,3-1-pyrrolidinylmethyl aniline,3-pyrrolidinylmethyl phenylamine,3-pyrrolidinylmethylaniline,3-pyrrolidin-1-ylmethyl-aniline,3-1-pyrrolidinylmethyl benzenamine,3-pyrrolidin-1-yl-methyl-aniline,3-pyrrolidin-1-yl methyl aniline
IUPAC Name 3-(pyrrolidin-1-ylmethyl)aniline
InChI Key RZDBCURLSQNEAD-UHFFFAOYSA-N
Molecular Formula C11H16N2
4,001
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1-Tritylimidazole-4-carboxaldehyde, 98%

CAS: 33016-47-6 Molecular Formula: C23H18N2O Molecular Weight (g/mol): 338.41 MDL Number: MFCD02179554 InChI Key: YQYLLBSWWRWWAY-UHFFFAOYSA-N Synonym: 1-tritylimidazole-4-carboxaldehyde,1-trityl-1h-imidazole-4-carbaldehyde,1-trityl-1h-imidazole-4-carboxaldehyde,1-trityl-imdazole-4-carboxadehyde,4-formyl-1-tritylimidazole,4-formyl-1-trityl-1h-imidazole,1-trityl-4-formylimidazole,1-triphenylmethyl imidazole-4-carbaldehyde,1-triphenylmethyl-1h-imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde, 1-triphenylmethyl PubChem CID: 618233 SMILES: O=CC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 618233
CAS 33016-47-6
Molecular Weight (g/mol) 338.41
MDL Number MFCD02179554
SMILES O=CC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 1-tritylimidazole-4-carboxaldehyde,1-trityl-1h-imidazole-4-carbaldehyde,1-trityl-1h-imidazole-4-carboxaldehyde,1-trityl-imdazole-4-carboxadehyde,4-formyl-1-tritylimidazole,4-formyl-1-trityl-1h-imidazole,1-trityl-4-formylimidazole,1-triphenylmethyl imidazole-4-carbaldehyde,1-triphenylmethyl-1h-imidazole-4-carbaldehyde,1h-imidazole-4-carboxaldehyde, 1-triphenylmethyl
InChI Key YQYLLBSWWRWWAY-UHFFFAOYSA-N
Molecular Formula C23H18N2O
4,002
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4-Hydroxybenzylamine hydrate, 97%

CAS: 696-60-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD19690971 InChI Key: RQJDUEKERVZLLU-UHFFFAOYSA-N Synonym: 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine PubChem CID: 97472 IUPAC Name: 4-(aminomethyl)phenol SMILES: NCC1=CC=C(O)C=C1

PubChem CID 97472
CAS 696-60-6
Molecular Weight (g/mol) 123.16
MDL Number MFCD19690971
SMILES NCC1=CC=C(O)C=C1
Synonym 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine
IUPAC Name 4-(aminomethyl)phenol
InChI Key RQJDUEKERVZLLU-UHFFFAOYSA-N
Molecular Formula C7H9NO
4,003
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Phenylurea, 97%

CAS: 64-10-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N

PubChem CID 6145
CAS 64-10-8
Molecular Weight (g/mol) 136.15
MDL Number MFCD00007944
SMILES C1=CC=C(C=C1)NC(=O)N
Synonym 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea
IUPAC Name phenylurea
InChI Key LUBJCRLGQSPQNN-UHFFFAOYSA-N
Molecular Formula C7H8N2O
4,004
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4-Sulfobenzoic acid monopotassium salt, 95%

CAS: 5399-63-3 Molecular Formula: C7H5KO5S Molecular Weight (g/mol): 240.27 MDL Number: MFCD00007509 InChI Key: PXRJBUPXKDXDLG-UHFFFAOYSA-M Synonym: benzoic acid, 4-sulfo-, monopotassium salt,4-sulfobenzoic acid monopotassium salt,4-sulphobenzoic acid monopotassium salt,4-sulfobenzoicacidmonopotassiumsalt,potassium hydrogen 4-sulphonatobenzoate,p-sulphobenzoic acid, monopotassium salt,potassium 4-sulphobenzoate,benzoic acid, 4-sulfo-, potassium salt 1:1,potassium 4-sulfobenzoate,p-potassiooxysulfonyl benzoic acid PubChem CID: 23670833 IUPAC Name: potassium;4-sulfobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)O.[K+]

PubChem CID 23670833
CAS 5399-63-3
Molecular Weight (g/mol) 240.27
MDL Number MFCD00007509
SMILES C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)O.[K+]
Synonym benzoic acid, 4-sulfo-, monopotassium salt,4-sulfobenzoic acid monopotassium salt,4-sulphobenzoic acid monopotassium salt,4-sulfobenzoicacidmonopotassiumsalt,potassium hydrogen 4-sulphonatobenzoate,p-sulphobenzoic acid, monopotassium salt,potassium 4-sulphobenzoate,benzoic acid, 4-sulfo-, potassium salt 1:1,potassium 4-sulfobenzoate,p-potassiooxysulfonyl benzoic acid
IUPAC Name potassium;4-sulfobenzoate
InChI Key PXRJBUPXKDXDLG-UHFFFAOYSA-M
Molecular Formula C7H5KO5S
4,005
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5-Sulfoisophthalic acid monosodium salt, 95%

CAS: 6362-79-4 Molecular Formula: C8H5NaO7S Molecular Weight (g/mol): 268.171 MDL Number: MFCD00007495 InChI Key: YXTFRJVQOWZDPP-UHFFFAOYSA-M Synonym: 5-sulfafe-3-phthalicacid PubChem CID: 57488606 IUPAC Name: sodium;3-carboxy-5-sulfobenzoate SMILES: C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]

PubChem CID 57488606
CAS 6362-79-4
Molecular Weight (g/mol) 268.171
MDL Number MFCD00007495
SMILES C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
Synonym 5-sulfafe-3-phthalicacid
IUPAC Name sodium;3-carboxy-5-sulfobenzoate
InChI Key YXTFRJVQOWZDPP-UHFFFAOYSA-M
Molecular Formula C8H5NaO7S