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.

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1,711 – 1,725 of 158,060 results

1,711

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(S)-(+)-alpha-Methoxyphenylacetic acid, 98%

CAS: 26164-26-1 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00064216 InChI Key: DIWVBIXQCNRCFE-QMMMGPOBSA-N Synonym: s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s PubChem CID: 643325 IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

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PubChem CID	643325
CAS	26164-26-1
Molecular Weight (g/mol)	166.18
MDL Number	MFCD00064216
SMILES	COC(C1=CC=CC=C1)C(=O)O
Synonym	s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s
IUPAC Name	(2S)-2-methoxy-2-phenylacetic acid
InChI Key	DIWVBIXQCNRCFE-QMMMGPOBSA-N
Molecular Formula	C₉H₁₀O₃

1,712

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4-(Trifluoromethyl)thiophenol, 97%

CAS: 825-83-2 Molecular Formula: C₇H₅F₃S Molecular Weight (g/mol): 178.18 MDL Number: MFCD00042320 InChI Key: WCMLRSZJUIKVCW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864 PubChem CID: 136653 IUPAC Name: 4-(trifluoromethyl)benzenethiol SMILES: C1=CC(=CC=C1C(F)(F)F)S

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Specifications

PubChem CID	136653
CAS	825-83-2
Molecular Weight (g/mol)	178.18
MDL Number	MFCD00042320
SMILES	C1=CC(=CC=C1C(F)(F)F)S
Synonym	4-trifluoromethyl thiophenol,4-trifluoromethyl benzenethiol,4-trifluoromethyl benzene-1-thiol,4-trifluoromethylthiophenol,4-mercaptobenzotrifluoride,benzenethiol, 4-trifluoromethyl,4-trifluoromethyl t,acmc-20amtl,pubchem6864
IUPAC Name	4-(trifluoromethyl)benzenethiol
InChI Key	WCMLRSZJUIKVCW-UHFFFAOYSA-N
Molecular Formula	C₇H₅F₃S

1,713

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3,5-Dimethylbenzyl bromide, 98%

CAS: 27129-86-8 Molecular Formula: C₉H₁₁Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00013539 InChI Key: QXDHXCVJGBTQMK-UHFFFAOYSA-N Synonym: 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide PubChem CID: 141334 IUPAC Name: 1-(bromomethyl)-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)CBr)C

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PubChem CID	141334
CAS	27129-86-8
Molecular Weight (g/mol)	199.09
MDL Number	MFCD00013539
SMILES	CC1=CC(=CC(=C1)CBr)C
Synonym	3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide
IUPAC Name	1-(bromomethyl)-3,5-dimethylbenzene
InChI Key	QXDHXCVJGBTQMK-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁Br

1,714

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4-Amino-3-nitrophenol, 98%

CAS: 610-81-1 Molecular Formula: C₆H₆N₂O₃ Molecular Weight (g/mol): 154.13 MDL Number: MFCD00066310 InChI Key: IQXUIDYRTHQTET-UHFFFAOYSA-N Synonym: 4-hydroxy-2-nitroaniline,3-nitro-4-aminophenol,phenol, 4-amino-3-nitro,4-amino-3-nitro-phenol,unii-r5wy41q95z,3-nitro-4-amino phenol,4-aminophenol-3-nitrophenol,pubchem1481,4-amino-3-nitropbenol PubChem CID: 3758882 IUPAC Name: 4-amino-3-nitrophenol SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])N

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Specifications

PubChem CID	3758882
CAS	610-81-1
Molecular Weight (g/mol)	154.13
MDL Number	MFCD00066310
SMILES	C1=CC(=C(C=C1O)[N+](=O)[O-])N
Synonym	4-hydroxy-2-nitroaniline,3-nitro-4-aminophenol,phenol, 4-amino-3-nitro,4-amino-3-nitro-phenol,unii-r5wy41q95z,3-nitro-4-amino phenol,4-aminophenol-3-nitrophenol,pubchem1481,4-amino-3-nitropbenol
IUPAC Name	4-amino-3-nitrophenol
InChI Key	IQXUIDYRTHQTET-UHFFFAOYSA-N
Molecular Formula	C₆H₆N₂O₃

1,715

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4-Cyanophenylhydrazine hydrochloride, 97+%

CAS: 2863-98-1 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00673994 InChI Key: DZUUSHCOMPROCJ-UHFFFAOYSA-N Synonym: 4-cyanophenylhydrazine hydrochloride,4-hydrazinylbenzonitrile hydrochloride,4-hydrazinobenzonitrile hydrochloride,4-cyanophenylhydrazine hcl,benzonitrile, 4-hydrazino-, monohydrochloride,4-hydrazino-benzonitrile; hydrochloride,pubchem13684,4-cyanophenylhydrazine-hcl,acmc-1co7p,ksc205o1j PubChem CID: 16212962 SMILES: NNC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	16212962
CAS	2863-98-1
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00673994
SMILES	NNC1=CC=C(C=C1)C#N
Synonym	4-cyanophenylhydrazine hydrochloride,4-hydrazinylbenzonitrile hydrochloride,4-hydrazinobenzonitrile hydrochloride,4-cyanophenylhydrazine hcl,benzonitrile, 4-hydrazino-, monohydrochloride,4-hydrazino-benzonitrile; hydrochloride,pubchem13684,4-cyanophenylhydrazine-hcl,acmc-1co7p,ksc205o1j
InChI Key	DZUUSHCOMPROCJ-UHFFFAOYSA-N
Molecular Formula	C7H7N3

1,716

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2,4,5-Trichlorothiophenol, 97%

CAS: 3773-14-6 Molecular Formula: C6H3Cl3S Molecular Weight (g/mol): 213.5 MDL Number: MFCD00014447 InChI Key: JARIALSGFXECCH-UHFFFAOYSA-N Synonym: 2,4,5-trichlorothiophenol,renacit ii,benzenethiol, 2,4,5-trichloro,2,4,5-trichlorobenzene-1-thiol,acmc-209iv9,2,4,5-trichloro-thiophenol,2,4,5-trichlorophenyl mercaptan,2,4,5-tris chloranyl benzenethiol,n-memet-n-trimetsilylmet benzylamine PubChem CID: 19597 IUPAC Name: 2,4,5-trichlorobenzenethiol SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)S

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Specifications

PubChem CID	19597
CAS	3773-14-6
Molecular Weight (g/mol)	213.5
MDL Number	MFCD00014447
SMILES	C1=C(C(=CC(=C1Cl)Cl)Cl)S
Synonym	2,4,5-trichlorothiophenol,renacit ii,benzenethiol, 2,4,5-trichloro,2,4,5-trichlorobenzene-1-thiol,acmc-209iv9,2,4,5-trichloro-thiophenol,2,4,5-trichlorophenyl mercaptan,2,4,5-tris chloranyl benzenethiol,n-memet-n-trimetsilylmet benzylamine
IUPAC Name	2,4,5-trichlorobenzenethiol
InChI Key	JARIALSGFXECCH-UHFFFAOYSA-N
Molecular Formula	C6H3Cl3S

1,717

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3-Methylbenzylamine, 98%

CAS: 100-81-2 Molecular Formula: C₈H₁₁N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008118 InChI Key: RGXUCUWVGKLACF-UHFFFAOYSA-N Synonym: 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine PubChem CID: 66015 IUPAC Name: (3-methylphenyl)methanamine SMILES: CC1=CC(=CC=C1)CN

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Specifications

PubChem CID	66015
CAS	100-81-2
Molecular Weight (g/mol)	121.18
MDL Number	MFCD00008118
SMILES	CC1=CC(=CC=C1)CN
Synonym	3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine
IUPAC Name	(3-methylphenyl)methanamine
InChI Key	RGXUCUWVGKLACF-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁N

1,718

4-Benzyl-2-morpholinecarboxylic acid hydrochloride, 97%, Thermo Scientific™

CAS: 135072-15-0 Molecular Formula: C12H16ClNO3 Molecular Weight (g/mol): 257.714 MDL Number: MFCD02682031 InChI Key: CEDXMALCJZSQHA-UHFFFAOYSA-N Synonym: 4-benzyl-2-morpholinecarboxylic acid hydrochloride,4-benzylmorpholine-2-carboxylic acid hydrochloride,4-benzyl-2-carboxymorpholine hydrochloride,4-benzyl-2-morpholinecarboxylicacidhydrochloride,4-benzyl-2-morpholinecarboxylic acid hcl,4-benzyl-morpholine-2-carboxylic acid hydrochloride,2-morpholinecarboxylic acid, 4-phenylmethyl-, hydrochloride,2-morpholinecarboxylicacid, 4-phenylmethyl-, hydrochloride 1:1,acmc-1by3p,ksc173i6l PubChem CID: 2776352 IUPAC Name: 4-benzylmorpholine-2-carboxylic acid;hydrochloride SMILES: C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl

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Specifications

PubChem CID	2776352
CAS	135072-15-0
Molecular Weight (g/mol)	257.714
MDL Number	MFCD02682031
SMILES	C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl
Synonym	4-benzyl-2-morpholinecarboxylic acid hydrochloride,4-benzylmorpholine-2-carboxylic acid hydrochloride,4-benzyl-2-carboxymorpholine hydrochloride,4-benzyl-2-morpholinecarboxylicacidhydrochloride,4-benzyl-2-morpholinecarboxylic acid hcl,4-benzyl-morpholine-2-carboxylic acid hydrochloride,2-morpholinecarboxylic acid, 4-phenylmethyl-, hydrochloride,2-morpholinecarboxylicacid, 4-phenylmethyl-, hydrochloride 1:1,acmc-1by3p,ksc173i6l
IUPAC Name	4-benzylmorpholine-2-carboxylic acid;hydrochloride
InChI Key	CEDXMALCJZSQHA-UHFFFAOYSA-N
Molecular Formula	C12H16ClNO3

1,719

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Benzylamine hydrochloride, 99%

CAS: 3287-99-8 Molecular Formula: C₇H₉N·ClH Molecular Weight (g/mol): 143.62 MDL Number: MFCD00012852 InChI Key: XKXHCNPAFAXVRZ-UHFFFAOYSA-N Synonym: benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt PubChem CID: 2724127 IUPAC Name: phenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)CN.Cl

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Specifications

PubChem CID	2724127
CAS	3287-99-8
Molecular Weight (g/mol)	143.62
MDL Number	MFCD00012852
SMILES	C1=CC=C(C=C1)CN.Cl
Synonym	benzylamine hydrochloride,phenylmethanamine hydrochloride,benzenemethanamine, hydrochloride,benzylammonium chloride,benzylamine, hydrochloride,usaf el-82,benzenemethanamine, hydrochloride 1:1,benzylamine hcl,benzylaminehydrochloride,benzyl amine hcl salt
IUPAC Name	phenylmethanamine;hydrochloride
InChI Key	XKXHCNPAFAXVRZ-UHFFFAOYSA-N
Molecular Formula	C₇H₉N·ClH

1,720

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1-Benzyl-3-pyrroline, 98%

CAS: 6913-92-4 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00012324 InChI Key: LRFHKHHUKGZIGE-UHFFFAOYSA-N Synonym: 1-benzyl-3-pyrroline,1-benzyl-2,5-dihydro-1h-pyrrole,n-benzylpyrroline,n-benzyl-3-pyrroline,1h-pyrrole, 2,5-dihydro-1-phenylmethyl,maleimide-related compound 16,l-benzyl-3-pyrroline,n-benzyl 3-pyrroline,1-benzylpyrroline PubChem CID: 561506 IUPAC Name: 1-benzyl-2,5-dihydropyrrole SMILES: C1C=CCN1CC2=CC=CC=C2

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Specifications

PubChem CID	561506
CAS	6913-92-4
Molecular Weight (g/mol)	159.232
MDL Number	MFCD00012324
SMILES	C1C=CCN1CC2=CC=CC=C2
Synonym	1-benzyl-3-pyrroline,1-benzyl-2,5-dihydro-1h-pyrrole,n-benzylpyrroline,n-benzyl-3-pyrroline,1h-pyrrole, 2,5-dihydro-1-phenylmethyl,maleimide-related compound 16,l-benzyl-3-pyrroline,n-benzyl 3-pyrroline,1-benzylpyrroline
IUPAC Name	1-benzyl-2,5-dihydropyrrole
InChI Key	LRFHKHHUKGZIGE-UHFFFAOYSA-N
Molecular Formula	C11H13N

1,721

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Mesitylenesulfonic acid sodium salt hemihydrate, 98%

CAS: 6148-75-0 Molecular Formula: C9H11NaO3S Molecular Weight (g/mol): 222.23 MDL Number: MFCD00067712 InChI Key: AOJUNZYQOYSGHT-UHFFFAOYSA-M Synonym: sodium mesitylenesulfonate,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt,sodium 2,4,6-trimethylbenzenesulfonate,sodium 2,4,6-trimethylbenzenesulphonate,mesitylenesulfonic acid sodium salt hemihydrate,mesitylenesulfonic acid sodium salt,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt 1:1,2,4,6-trimethylbenzenesulfonic acid sodium salt,mesitylene sodium sulfonate,acmc-1bbae PubChem CID: 23661859 IUPAC Name: sodium;2,4,6-trimethylbenzenesulfonate SMILES: [Na+].CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O

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Specifications

PubChem CID	23661859
CAS	6148-75-0
Molecular Weight (g/mol)	222.23
MDL Number	MFCD00067712
SMILES	[Na+].CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O
Synonym	sodium mesitylenesulfonate,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt,sodium 2,4,6-trimethylbenzenesulfonate,sodium 2,4,6-trimethylbenzenesulphonate,mesitylenesulfonic acid sodium salt hemihydrate,mesitylenesulfonic acid sodium salt,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt 1:1,2,4,6-trimethylbenzenesulfonic acid sodium salt,mesitylene sodium sulfonate,acmc-1bbae
IUPAC Name	sodium;2,4,6-trimethylbenzenesulfonate
InChI Key	AOJUNZYQOYSGHT-UHFFFAOYSA-M
Molecular Formula	C9H11NaO3S

1,722

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[Hydroxy(tosyloxy)iodo]benzene, 97%

CAS: 27126-76-7 Molecular Formula: C₁₃H₁₃IO₄S Molecular Weight (g/mol): 392.21 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O

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Specifications

PubChem CID	325434
CAS	27126-76-7
Molecular Weight (g/mol)	392.21
MDL Number	MFCD00011547
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
Synonym	hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide
IUPAC Name	[hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate
InChI Key	LRIUKPUCKCECPT-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₃IO₄S

1,723

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3-Sulfobenzoic acid monosodium salt, 97%

CAS: 17625-03-5 Molecular Formula: C7H5NaO5S Molecular Weight (g/mol): 224.162 MDL Number: MFCD00066378 InChI Key: KQHKITXZJDOIOD-UHFFFAOYSA-M PubChem CID: 23668512 IUPAC Name: sodium;3-sulfobenzoate SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]

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Specifications

PubChem CID	23668512
CAS	17625-03-5
Molecular Weight (g/mol)	224.162
MDL Number	MFCD00066378
SMILES	C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]
IUPAC Name	sodium;3-sulfobenzoate
InChI Key	KQHKITXZJDOIOD-UHFFFAOYSA-M
Molecular Formula	C7H5NaO5S

1,724

Sulfosalicylic Acid, Dihydrate, Crystal, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

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Specifications

PubChem CID	2723734
CAS	5965-83-3
Molecular Weight (g/mol)	250.27
MDL Number	MFCD00007508,MFCD00149540
SMILES	C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym	2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula	C9H14O6S

1,725

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2,4-Dinitrobenzenesulfonic acid sodium salt, 97%

CAS: 885-62-1 Molecular Formula: C6H3N2NaO7S Molecular Weight (g/mol): 270.15 MDL Number: MFCD00007471,MFCD10567393 InChI Key: GSBYVRKLPCSLNV-UHFFFAOYSA-M Synonym: sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate PubChem CID: 70700115 IUPAC Name: sodium;2,4-dinitrobenzenesulfonate;hydrate SMILES: [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O

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Specifications

PubChem CID	70700115
CAS	885-62-1
Molecular Weight (g/mol)	270.15
MDL Number	MFCD00007471,MFCD10567393
SMILES	[Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O
Synonym	sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate
IUPAC Name	sodium;2,4-dinitrobenzenesulfonate;hydrate
InChI Key	GSBYVRKLPCSLNV-UHFFFAOYSA-M
Molecular Formula	C6H3N2NaO7S

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