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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (40)
Benzenesulfonamides (19)
Benzoyl derivatives (17)
Methoxybenzenes (16)
Benzyl Derivatives (14)
Benzophenones (13)
Diphenylmethanes (12)
Benzamides (11)
Phenylpropanes (10)
Aminobenzoic acids and derivatives (9)
Fluorobenzenes (8)
Phenylbutylamines (8)
Benzoyl peroxides (7)
Phenoxy compounds (7)
Benzoic acid esters (6)
Trifluoromethylbenzenes (3)
Acylaminobenzoic acid and derivatives (2)
Phenylmethylamines (2)
Benzenesulfonyl compounds (1)
Diphenylethers (1)
Iodobenzenes (1)
Phenylacetamides (1)
Phthalic acid and derivatives (1)

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1 – 15 of 103 results
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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
2

Capsaicin, USP, Spectrum™ Chemical
SDP

CAS: 404-86-4 Molecular Formula: C18H27NO3 Molecular Weight (g/mol): 305.42 InChI Key: YKPUWZUDDOIDPM-SOFGYWHQSA-N IUPAC Name: (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide SMILES: COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O

CAS 404-86-4
Molecular Weight (g/mol) 305.42
SMILES COC1=CC(CNC(=O)CCCC\C=C\C(C)C)=CC=C1O
IUPAC Name (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
InChI Key YKPUWZUDDOIDPM-SOFGYWHQSA-N
Molecular Formula C18H27NO3
3

Eugenol, USP, Spectrum™ Chemical
SDP

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N IUPAC Name: 2-methoxy-4-(prop-2-en-1-yl)phenol SMILES: COC1=CC(CC=C)=CC=C1O

CAS 97-53-0
Molecular Weight (g/mol) 164.20
MDL Number MFCD00008654
SMILES COC1=CC(CC=C)=CC=C1O
IUPAC Name 2-methoxy-4-(prop-2-en-1-yl)phenol
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula C10H12O2
4

Benzocaine, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1

CAS 94-09-7
Molecular Weight (g/mol) 165.19
MDL Number MFCD00007892
SMILES CCOC(=O)C1=CC=C(N)C=C1
IUPAC Name ethyl 4-aminobenzoate
InChI Key BLFLLBZGZJTVJG-UHFFFAOYSA-N
Molecular Formula C9H11NO2
5

Spectrum Chemical Manufacturing Corporation Guaifenesin, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO

CAS 93-14-1
Molecular Weight (g/mol) 198.22
MDL Number MFCD00016873
SMILES COC1=CC=CC=C1OCC(O)CO
IUPAC Name 3-(2-methoxyphenoxy)propane-1,2-diol
InChI Key HSRJKNPTNIJEKV-UHFFFAOYNA-N
Molecular Formula C10H14O4
6

Fluconazole, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.28 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol SMILES: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F

CAS 86386-73-4
Molecular Weight (g/mol) 306.28
SMILES OC(CN1C=NC=N1)(CN1C=NC=N1)C1=CC=C(F)C=C1F
IUPAC Name 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
InChI Key RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula C13H12F2N6O
7

Miconazole, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

CAS 22916-47-8
Molecular Weight (g/mol) 416.12
MDL Number MFCD00216019
SMILES ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
IUPAC Name 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula C18H14Cl4N2O
8

Octisalate, USP, 95-105%, Spectrum™ Chemical
SDP

CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O

CAS 118-60-5
Molecular Weight (g/mol) 250.34
SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1O
IUPAC Name 2-ethylhexyl 2-hydroxybenzoate
InChI Key FMRHJJZUHUTGKE-UHFFFAOYNA-N
Molecular Formula C15H22O3
9

Sulfasalazine, USP, 97-101.5%, Spectrum™ Chemical
SDP

CAS: 599-79-1 Molecular Formula: C18H14N4O5S Molecular Weight (g/mol): 398.39 InChI Key: OQANPHBRHBJGNZ-BKUYFWCQSA-N IUPAC Name: (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid SMILES: OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1

CAS 599-79-1
Molecular Weight (g/mol) 398.39
SMILES OC(=O)C1=C\C(C=CC1=O)=N/NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
IUPAC Name (3Z)-6-oxo-3-(2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}hydrazin-1-ylidene)cyclohexa-1,4-diene-1-carboxylic acid
InChI Key OQANPHBRHBJGNZ-BKUYFWCQSA-N
Molecular Formula C18H14N4O5S
10

Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical
SDP

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

CAS 50-78-2
Molecular Weight (g/mol) 180.16
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
IUPAC Name 2-(acetyloxy)benzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
11

Furosemide, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N IUPAC Name: 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid SMILES: NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl

CAS 54-31-9
Molecular Weight (g/mol) 330.74
SMILES NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl
IUPAC Name 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid
InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O5S
12

Ketoprofen, Micronized, USP, 98.5-101%, Spectrum™ Chemical
SDP

CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 InChI Key: DKYWVDODHFEZIM-UHFFFAOYNA-N IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1

CAS 22071-15-4
Molecular Weight (g/mol) 254.29
SMILES CC(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
IUPAC Name 2-(3-benzoylphenyl)propanoic acid
InChI Key DKYWVDODHFEZIM-UHFFFAOYNA-N
Molecular Formula C16H14O3
13

Diphenhydramine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 147-24-0 Molecular Formula: C17H22ClNO Molecular Weight (g/mol): 291.82 MDL Number: MFCD00012479 InChI Key: PCHPORCSPXIHLZ-UHFFFAOYSA-N IUPAC Name: hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride SMILES: [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1

CAS 147-24-0
Molecular Weight (g/mol) 291.82
MDL Number MFCD00012479
SMILES [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride
InChI Key PCHPORCSPXIHLZ-UHFFFAOYSA-N
Molecular Formula C17H22ClNO
14

Benzyl Benzoate, USP, 99-100.5%, Spectrum™ Chemical
SDP

CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1

CAS 120-51-4
Molecular Weight (g/mol) 212.25
MDL Number MFCD00003075
SMILES O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name benzyl benzoate
InChI Key SESFRYSPDFLNCH-UHFFFAOYSA-N
Molecular Formula C14H12O2
15

Doxylamine Succinate, USP, 98-101%, Spectrum™ Chemical
SDP

CAS: 562-10-7 Molecular Formula: C21H28N2O5 Molecular Weight (g/mol): 388.46 MDL Number: MFCD00056168 InChI Key: KBAUFVUYFNWQFM-UHFFFAOYNA-N IUPAC Name: butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine SMILES: OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1

CAS 562-10-7
Molecular Weight (g/mol) 388.46
MDL Number MFCD00056168
SMILES OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
IUPAC Name butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
InChI Key KBAUFVUYFNWQFM-UHFFFAOYNA-N
Molecular Formula C21H28N2O5