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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7,081 – 7,095 of 159,118 results

7,081

Ethyl 4-Acetamidophenylacetate 98.0+%, TCI America™

CAS: 13475-17-7 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.256 MDL Number: MFCD06797104 InChI Key: OOLUNZSKHFNSCD-UHFFFAOYSA-N Synonym: 4-Acetamidophenylacetic Acid Ethyl Ester PubChem CID: 10353455 IUPAC Name: ethyl 2-(4-acetamidophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)NC(=O)C

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Specifications

PubChem CID	10353455
CAS	13475-17-7
Molecular Weight (g/mol)	221.256
MDL Number	MFCD06797104
SMILES	CCOC(=O)CC1=CC=C(C=C1)NC(=O)C
Synonym	4-Acetamidophenylacetic Acid Ethyl Ester
IUPAC Name	ethyl 2-(4-acetamidophenyl)acetate
InChI Key	OOLUNZSKHFNSCD-UHFFFAOYSA-N
Molecular Formula	C12H15NO3

7,082

p-Acetotoluidine 98.0+%, TCI America™

CAS: 103-89-9 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C

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Specifications

PubChem CID	7684
CAS	103-89-9
Molecular Weight (g/mol)	149.193
MDL Number	MFCD00008677
SMILES	CC1=CC=C(C=C1)NC(=O)C
Synonym	4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide
IUPAC Name	N-(4-methylphenyl)acetamide
InChI Key	YICAMJWHIUMFDI-UHFFFAOYSA-N
Molecular Formula	C9H11NO

7,083

3-Acetoxy-2-naphthanilide 99.0+%, TCI America™

CAS: 1163-67-3 Molecular Formula: C19H15NO3 Molecular Weight (g/mol): 305.333 MDL Number: MFCD00004095 InChI Key: CVJGNNYDVQYHEO-UHFFFAOYSA-N Synonym: naphthol as acetate,3-acetoxy-2-naphthanilide,2-acetoxy-3-naphthoic acid anilide,acetyl naphthol as,3-phenylcarbamoyl naphthalen-2-yl acetate,2-n-phenylcarbamoyl-3-naphthyl acetate,2-naphthalenecarboxamide, 3-acetyloxy-n-phenyl,naphthol-as-acetat,3-phenylcarbamoyl-2-naphthyl acetate PubChem CID: 96045 IUPAC Name: [3-(phenylcarbamoyl)naphthalen-2-yl] acetate SMILES: CC(=O)OC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3

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Specifications

PubChem CID	96045
CAS	1163-67-3
Molecular Weight (g/mol)	305.333
MDL Number	MFCD00004095
SMILES	CC(=O)OC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3
Synonym	naphthol as acetate,3-acetoxy-2-naphthanilide,2-acetoxy-3-naphthoic acid anilide,acetyl naphthol as,3-phenylcarbamoyl naphthalen-2-yl acetate,2-n-phenylcarbamoyl-3-naphthyl acetate,2-naphthalenecarboxamide, 3-acetyloxy-n-phenyl,naphthol-as-acetat,3-phenylcarbamoyl-2-naphthyl acetate
IUPAC Name	[3-(phenylcarbamoyl)naphthalen-2-yl] acetate
InChI Key	CVJGNNYDVQYHEO-UHFFFAOYSA-N
Molecular Formula	C19H15NO3

7,084

4'-Chloro-3-hydroxy-2-naphthanilide 97.0+%, TCI America™

CAS: 92-78-4 Molecular Formula: C17H12ClNO2 Molecular Weight (g/mol): 297.738 MDL Number: MFCD00021639 InChI Key: OHAXNCGNVGGWSO-UHFFFAOYSA-N Synonym: N-(4-Chlorophenyl)-3-hydroxy-2-naphthamide, Naphthol AS-E, Azoic Coupling Component 10 PubChem CID: 66720 IUPAC Name: N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O

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Specifications

PubChem CID	66720
CAS	92-78-4
Molecular Weight (g/mol)	297.738
MDL Number	MFCD00021639
SMILES	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O
Synonym	N-(4-Chlorophenyl)-3-hydroxy-2-naphthamide, Naphthol AS-E, Azoic Coupling Component 10
IUPAC Name	N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
InChI Key	OHAXNCGNVGGWSO-UHFFFAOYSA-N
Molecular Formula	C17H12ClNO2

7,085

2-Chloro-4-nitrobenzamide 98.0+%, TCI America™

CAS: 3011-89-0 Molecular Formula: C7H5ClN2O3 Molecular Weight (g/mol): 200.578 MDL Number: MFCD00017119 InChI Key: GFGSZUNNBQXGMK-UHFFFAOYSA-N Synonym: aklomide,aklomix,clomide,alkomide,benzamide, 2-chloro-4-nitro,component of aklomix,component of novastat-w,unii-b0e341ra20,2-chloro-4-nitro benzamide,dsstox_cid_21405 PubChem CID: 2075 IUPAC Name: 2-chloro-4-nitrobenzamide SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N

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Specifications

PubChem CID	2075
CAS	3011-89-0
Molecular Weight (g/mol)	200.578
MDL Number	MFCD00017119
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N
Synonym	aklomide,aklomix,clomide,alkomide,benzamide, 2-chloro-4-nitro,component of aklomix,component of novastat-w,unii-b0e341ra20,2-chloro-4-nitro benzamide,dsstox_cid_21405
IUPAC Name	2-chloro-4-nitrobenzamide
InChI Key	GFGSZUNNBQXGMK-UHFFFAOYSA-N
Molecular Formula	C7H5ClN2O3

7,086

Sodium 3-Methylsalicylate 97.0+%, TCI America™

CAS: 32768-20-0 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.131 MDL Number: MFCD00058985 InChI Key: ODAXNLPYGWAGTH-UHFFFAOYSA-M Synonym: o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt PubChem CID: 23668291 IUPAC Name: sodium;2-hydroxy-3-methylbenzoate SMILES: CC1=CC=CC(=C1O)C(=O)[O-].[Na+]

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Specifications

PubChem CID	23668291
CAS	32768-20-0
Molecular Weight (g/mol)	174.131
MDL Number	MFCD00058985
SMILES	CC1=CC=CC(=C1O)C(=O)[O-].[Na+]
Synonym	o-Cresotic Acid Sodium Salt, 2-Hydroxy-3-methylbenzoic Acid Sodium Salt, 2-Hydroxy-m-toluic Acid Sodium Salt, Sodium 2-Hydroxy-3-methylbenzoate, 3-Methylsalicylic Acid Sodium Salt
IUPAC Name	sodium;2-hydroxy-3-methylbenzoate
InChI Key	ODAXNLPYGWAGTH-UHFFFAOYSA-M
Molecular Formula	C8H7NaO3

7,087

3-Methylsalicylic Acid 98.0+%, TCI America™

CAS: 83-40-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002448 InChI Key: WHSXTWFYRGOBGO-UHFFFAOYSA-N Synonym: 3-methylsalicylic acid,hydroxytoluic acid,o-cresotic acid,o-cresotinic acid,cresotic acid,o-homosalicylic acid,2-hydroxy-m-toluic acid,2,3-cresotinic acid,cresotinic acid,benzoic acid, 2-hydroxy-3-methyl PubChem CID: 6738 ChEBI: CHEBI:20141 IUPAC Name: 2-hydroxy-3-methylbenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1O

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Specifications

PubChem CID	6738
CAS	83-40-9
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:20141
MDL Number	MFCD00002448
SMILES	CC1=CC=CC(C(O)=O)=C1O
Synonym	3-methylsalicylic acid,hydroxytoluic acid,o-cresotic acid,o-cresotinic acid,cresotic acid,o-homosalicylic acid,2-hydroxy-m-toluic acid,2,3-cresotinic acid,cresotinic acid,benzoic acid, 2-hydroxy-3-methyl
IUPAC Name	2-hydroxy-3-methylbenzoic acid
InChI Key	WHSXTWFYRGOBGO-UHFFFAOYSA-N
Molecular Formula	C8H8O3

7,088

Heptyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 13423-48-8 Molecular Formula: C25H30BrP Molecular Weight (g/mol): 441.39 MDL Number: MFCD00050249 InChI Key: WCZSOHSGMBVYFW-UHFFFAOYSA-M Synonym: heptyltriphenylphosphonium bromide,n-heptyltriphenylphosphonium bromide,heptyltriphenylphosphanium bromide,heptyl triphenyl phosphanium bromide,heptyl triphenyl phosphonium bromide,n-heptyl-triphenylphosphonium bromide,1-heptyl triphenylphosphonium bromide,phosphonium, heptyltriphenyl-, bromide,c7h15pph3br;,acmc-209bu9 PubChem CID: 2724567 IUPAC Name: heptyltriphenylphosphanium bromide SMILES: [Br-].CCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724567
CAS	13423-48-8
Molecular Weight (g/mol)	441.39
MDL Number	MFCD00050249
SMILES	[Br-].CCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	heptyltriphenylphosphonium bromide,n-heptyltriphenylphosphonium bromide,heptyltriphenylphosphanium bromide,heptyl triphenyl phosphanium bromide,heptyl triphenyl phosphonium bromide,n-heptyl-triphenylphosphonium bromide,1-heptyl triphenylphosphonium bromide,phosphonium, heptyltriphenyl-, bromide,c7h15pph3br;,acmc-209bu9
IUPAC Name	heptyltriphenylphosphanium bromide
InChI Key	WCZSOHSGMBVYFW-UHFFFAOYSA-M
Molecular Formula	C25H30BrP

7,089

(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I) 95.0+%, TCI America™

CAS: 1334890-93-5 Molecular Formula: C31H23CuF3N2P Molecular Weight (g/mol): 575.05 MDL Number: MFCD28386111 InChI Key: AKGOGTMOALVICI-UHFFFAOYSA-N PubChem CID: 88921701 IUPAC Name: λ¹-copper(1+) 1,10-phenanthroline trifluoromethanide triphenylphosphane SMILES: [Cu+].F[C-](F)F.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	88921701
CAS	1334890-93-5
Molecular Weight (g/mol)	575.05
MDL Number	MFCD28386111
SMILES	[Cu+].F[C-](F)F.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	λ¹-copper(1+) 1,10-phenanthroline trifluoromethanide triphenylphosphane
InChI Key	AKGOGTMOALVICI-UHFFFAOYSA-N
Molecular Formula	C31H23CuF3N2P

7,090

(+/-)-BINAP 97.0+%, TCI America™

CAS: 98327-87-8 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 IUPAC Name: [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	634876
CAS	98327-87-8
Molecular Weight (g/mol)	622.69
MDL Number	MFCD00010805
SMILES	C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene
IUPAC Name	[2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane
InChI Key	MUALRAIOVNYAIW-UHFFFAOYSA-N
Molecular Formula	C44H32P2

7,091

[RuCl(p-cymene)((S)-xylbinap)]Cl, TCI America™

CAS: 944451-25-6 Molecular Formula: C62H62Cl2P2Ru Molecular Weight (g/mol): 1041.096 MDL Number: MFCD09753015 InChI Key: CBZXDZCPCDMKJU-UHFFFAOYSA-L Synonym: Chloro[(S)-(-)-2,2′C-bis[di(3,5-xylyl)phosphino]-1,1′C-binaphthyl](p-cymene)ruthenium(II) Chloride PubChem CID: 72376324 IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.Cl[Ru]Cl

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Specifications

PubChem CID	72376324
CAS	944451-25-6
Molecular Weight (g/mol)	1041.096
MDL Number	MFCD09753015
SMILES	CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.Cl[Ru]Cl
Synonym	Chloro[(S)-(-)-2,2′C-bis[di(3,5-xylyl)phosphino]-1,1′C-binaphthyl](p-cymene)ruthenium(II) Chloride
IUPAC Name	[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
InChI Key	CBZXDZCPCDMKJU-UHFFFAOYSA-L
Molecular Formula	C62H62Cl2P2Ru

7,092

4-(Carboxybutyl)triphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 17814-85-6 Molecular Formula: C23H24BrO2P Molecular Weight (g/mol): 443.32 MDL Number: MFCD00011906 InChI Key: MLOSJPZSZWUDSK-UHFFFAOYSA-N Synonym: 4-carboxybutyl triphenylphosphonium bromide,phosphonium, 4-carboxybutyl triphenyl-, bromide,4-carboxybutyl triphenylphosphanium bromide,carboxybutyltriphenylphosphonium bromide,5-triphenylphosphonio pentanoic acid bromide,4-carboxybutyl-triphenylphosphonium bromide,triphenyl 4-carboxybutyl phosphonium bromide,4-carboxybutyl triphenyl phosphonium bromide PubChem CID: 161236 IUPAC Name: (4-carboxybutyl)triphenylphosphanium bromide SMILES: [Br-].OC(=O)CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	161236
CAS	17814-85-6
Molecular Weight (g/mol)	443.32
MDL Number	MFCD00011906
SMILES	[Br-].OC(=O)CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	4-carboxybutyl triphenylphosphonium bromide,phosphonium, 4-carboxybutyl triphenyl-, bromide,4-carboxybutyl triphenylphosphanium bromide,carboxybutyltriphenylphosphonium bromide,5-triphenylphosphonio pentanoic acid bromide,4-carboxybutyl-triphenylphosphonium bromide,triphenyl 4-carboxybutyl phosphonium bromide,4-carboxybutyl triphenyl phosphonium bromide
IUPAC Name	(4-carboxybutyl)triphenylphosphanium bromide
InChI Key	MLOSJPZSZWUDSK-UHFFFAOYSA-N
Molecular Formula	C23H24BrO2P

7,093

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 69891-92-5 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00012000 InChI Key: XETDBHNHTOJWPZ-UHFFFAOYSA-M Synonym: 2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide PubChem CID: 2724168 IUPAC Name: [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide SMILES: [Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1

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Specifications

PubChem CID	2724168
CAS	69891-92-5
Molecular Weight (g/mol)	457.35
MDL Number	MFCD00012000
SMILES	[Br-].C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCCO1
Synonym	2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphonium bromide,2-1,3-dioxan-2-yl ethyl triphenylphosphanium bromide,acmc-209obj,xqaupnaycikwct-uhfffaoysa-m,1,3-dioxan-2-ylethyltriphenylphosphinebromide,2-1,3-dioxan-2-yl ethyltriphenylphosphonium bromi,2-1,3-dioxan-2-yl ethyltriphenylphosphoniumbromide,2-1,3-dioxane-2-yl ethyltriphenylphosphonium bromide
IUPAC Name	[2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide
InChI Key	XETDBHNHTOJWPZ-UHFFFAOYSA-M
Molecular Formula	C24H26BrO2P

7,094

2-(4-Fluorophenyl)thiophene 95.0+%, TCI America™

CAS: 58861-48-6 Molecular Formula: C10H7FS Molecular Weight (g/mol): 178.224 MDL Number: MFCD06802535 InChI Key: PURJRGMZIKXDMW-UHFFFAOYSA-N PubChem CID: 21894783 IUPAC Name: 2-(4-fluorophenyl)thiophene SMILES: C1=CSC(=C1)C2=CC=C(C=C2)F

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Specifications

PubChem CID	21894783
CAS	58861-48-6
Molecular Weight (g/mol)	178.224
MDL Number	MFCD06802535
SMILES	C1=CSC(=C1)C2=CC=C(C=C2)F
IUPAC Name	2-(4-fluorophenyl)thiophene
InChI Key	PURJRGMZIKXDMW-UHFFFAOYSA-N
Molecular Formula	C10H7FS

7,095

2,2'-Methylenebis(4-methylphenol) 90.0+%, TCI America™

CAS: 3236-63-3 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00155176 InChI Key: XZXYQEHISUMZAT-UHFFFAOYSA-N PubChem CID: 76715 IUPAC Name: 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC=C(O)C(CC2=CC(C)=CC=C2O)=C1

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Specifications

PubChem CID	76715
CAS	3236-63-3
Molecular Weight (g/mol)	228.29
MDL Number	MFCD00155176
SMILES	CC1=CC=C(O)C(CC2=CC(C)=CC=C2O)=C1
IUPAC Name	2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
InChI Key	XZXYQEHISUMZAT-UHFFFAOYSA-N
Molecular Formula	C15H16O2

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