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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 (129,028)
Phenols (24,822)
Naphthalenes (6,308)
Phenol esters (4,717)
Unsubstituted Phenols (1,456)
Fluorenes (1,284)
Thiophenols (749)
Anthracenes (510)
Indanes (479)
Phenanthrenes and derivatives (359)
Tetralins (342)
Triphenyl compounds (280)
Pyrenes (267)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (17)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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1,921 – 1,935 of 157,535 results
1,921
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4-Ethynylbenzaldehyde, 95%

CAS: 63697-96-1 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.15 InChI Key: BGMHQBQFJYJLBP-UHFFFAOYSA-N PubChem CID: 2771645 IUPAC Name: 4-ethynylbenzaldehyde SMILES: C#CC1=CC=C(C=C1)C=O

PubChem CID 2771645
CAS 63697-96-1
Molecular Weight (g/mol) 130.15
SMILES C#CC1=CC=C(C=C1)C=O
IUPAC Name 4-ethynylbenzaldehyde
InChI Key BGMHQBQFJYJLBP-UHFFFAOYSA-N
Molecular Formula C9H6O
1,922
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(R)-2-Amino-7-hydroxytetralin, 97%

CAS: 85951-61-7 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 InChI Key: VIYAPIMIOKKYNF-SECBINFHSA-N Synonym: r-2-amino-7-hydroxytetralin,r-2-amino-7-hydroxytetraline,7r-7-amino-5,6,7,8-tetrahydronaphthalen-2-ol,r-7-amino-5,6,7,8-tetrahydronaphthalen-2-ol,r-7-amino-5,6,7,8-tetrahydro-naphthalen-2-ol,pubchem17353,3r-3-aminotetralin-6-ol PubChem CID: 14750917 IUPAC Name: (7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-ol SMILES: C1CC2=C(CC1N)C=C(C=C2)O

PubChem CID 14750917
CAS 85951-61-7
Molecular Weight (g/mol) 163.22
SMILES C1CC2=C(CC1N)C=C(C=C2)O
Synonym r-2-amino-7-hydroxytetralin,r-2-amino-7-hydroxytetraline,7r-7-amino-5,6,7,8-tetrahydronaphthalen-2-ol,r-7-amino-5,6,7,8-tetrahydronaphthalen-2-ol,r-7-amino-5,6,7,8-tetrahydro-naphthalen-2-ol,pubchem17353,3r-3-aminotetralin-6-ol
IUPAC Name (7R)-7-amino-5,6,7,8-tetrahydronaphthalen-2-ol
InChI Key VIYAPIMIOKKYNF-SECBINFHSA-N
Molecular Formula C10H13NO
1,923
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2,4,6-Trimethylstyrene, 95%

CAS: 769-25-5 Molecular Formula: C11H14 Molecular Weight (g/mol): 146.23 InChI Key: PDELBHCVXBSVPJ-UHFFFAOYSA-N Synonym: 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl PubChem CID: 13036 IUPAC Name: 2-ethenyl-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)C=C)C

PubChem CID 13036
CAS 769-25-5
Molecular Weight (g/mol) 146.23
SMILES CC1=CC(=C(C(=C1)C)C=C)C
Synonym 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl
IUPAC Name 2-ethenyl-1,3,5-trimethylbenzene
InChI Key PDELBHCVXBSVPJ-UHFFFAOYSA-N
Molecular Formula C11H14
1,924
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(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 98+%

CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 3080792
CAS 39637-99-5
Molecular Weight (g/mol) 252.62
MDL Number MFCD00044400
SMILES CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride
IUPAC Name (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key PAORVUMOXXAMPL-VIFPVBQESA-N
Molecular Formula C10H8ClF3O2
1,925
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4-Chloro-2-fluorobenzaldehyde, 99%

CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O

PubChem CID 2724908
CAS 61072-56-8
Molecular Weight (g/mol) 158.56
SMILES C1=CC(=C(C=C1Cl)F)C=O
Synonym 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985
IUPAC Name 4-chloro-2-fluorobenzaldehyde
InChI Key UVGYSEIWAOOIJR-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
1,926
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Methyl 3-bromobenzoate, 98%

CAS: 618-89-3 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00017777 InChI Key: KMFJVYMFCAIRAN-UHFFFAOYSA-N Synonym: methyl m-bromobenzoate,3-bromobenzoic acid methyl ester,benzoic acid, 3-bromo-, methyl ester,3-bromobenzoic acid, methyl ester,methyl-3-bromobenzoate,benzoic acid, m-bromo-, methyl ester,m-bromobenzoic acid methyl ester,pubchem3961,methyl m-bromo benzoate,methyl 3-bromo-benzoate PubChem CID: 12070 IUPAC Name: methyl 3-bromobenzoate SMILES: COC(=O)C1=CC(=CC=C1)Br

PubChem CID 12070
CAS 618-89-3
Molecular Weight (g/mol) 215.05
MDL Number MFCD00017777
SMILES COC(=O)C1=CC(=CC=C1)Br
Synonym methyl m-bromobenzoate,3-bromobenzoic acid methyl ester,benzoic acid, 3-bromo-, methyl ester,3-bromobenzoic acid, methyl ester,methyl-3-bromobenzoate,benzoic acid, m-bromo-, methyl ester,m-bromobenzoic acid methyl ester,pubchem3961,methyl m-bromo benzoate,methyl 3-bromo-benzoate
IUPAC Name methyl 3-bromobenzoate
InChI Key KMFJVYMFCAIRAN-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
1,927
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5-tert-Butyl-m-xylene, 98%

CAS: 98-19-1 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008832 InChI Key: FZSPYHREEHYLCB-UHFFFAOYSA-N Synonym: 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl PubChem CID: 7378 IUPAC Name: 1-tert-butyl-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C

PubChem CID 7378
CAS 98-19-1
Molecular Weight (g/mol) 162.276
MDL Number MFCD00008832
SMILES CC1=CC(=CC(=C1)C(C)(C)C)C
Synonym 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl
IUPAC Name 1-tert-butyl-3,5-dimethylbenzene
InChI Key FZSPYHREEHYLCB-UHFFFAOYSA-N
Molecular Formula C12H18
1,928
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2-Amino-m-cresol, 96%

CAS: 2835-97-4 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00075082 InChI Key: FEDLEBCVFZMHBP-UHFFFAOYSA-N Synonym: 2-amino-m-cresol,phenol, 2-amino-3-methyl,2-amino-3-methyl-phenol,2-hydroxy-6-methylaniline,amino-m-cresol,ccris 8319,2-azanyl-3-methyl-phenol,2-hydroxy-6-methyl-aniline,acmc-1cp72,dsstox_cid_29117 PubChem CID: 3014138 IUPAC Name: 2-amino-3-methylphenol SMILES: CC1=CC=CC(O)=C1N

PubChem CID 3014138
CAS 2835-97-4
Molecular Weight (g/mol) 123.16
MDL Number MFCD00075082
SMILES CC1=CC=CC(O)=C1N
Synonym 2-amino-m-cresol,phenol, 2-amino-3-methyl,2-amino-3-methyl-phenol,2-hydroxy-6-methylaniline,amino-m-cresol,ccris 8319,2-azanyl-3-methyl-phenol,2-hydroxy-6-methyl-aniline,acmc-1cp72,dsstox_cid_29117
IUPAC Name 2-amino-3-methylphenol
InChI Key FEDLEBCVFZMHBP-UHFFFAOYSA-N
Molecular Formula C7H9NO
1,929

4-Hydroxymethylbenzoic acid, 98%

CAS: 3006-96-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00017598 InChI Key: WWYFPDXEIFBNKE-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd PubChem CID: 76360 IUPAC Name: 4-(hydroxymethyl)benzoic acid SMILES: OCC1=CC=C(C=C1)C(O)=O

PubChem CID 76360
CAS 3006-96-0
Molecular Weight (g/mol) 152.15
MDL Number MFCD00017598
SMILES OCC1=CC=C(C=C1)C(O)=O
Synonym 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd
IUPAC Name 4-(hydroxymethyl)benzoic acid
InChI Key WWYFPDXEIFBNKE-UHFFFAOYSA-N
Molecular Formula C8H8O3
1,930
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1-Naphthalenethiol, 99%

CAS: 529-36-2 Molecular Formula: C10H7S Molecular Weight (g/mol): 159.23 MDL Number: MFCD00039599 InChI Key: SEXOVMIIVBKGGM-UHFFFAOYSA-M Synonym: 1-naphthalenethiol,1-thionaphthol,naphthalenethiol,1-naphthylthiol,unii-9a78cp495h,1-mercaptonaphthalene,.alpha.-naphthyl mercaptan,naphthalene thiol,1-napthalenethiol,naphthalen-1-thiol PubChem CID: 68259 IUPAC Name: naphthalene-1-thiol SMILES: [S-]C1=C2C=CC=CC2=CC=C1

PubChem CID 68259
CAS 529-36-2
Molecular Weight (g/mol) 159.23
MDL Number MFCD00039599
SMILES [S-]C1=C2C=CC=CC2=CC=C1
Synonym 1-naphthalenethiol,1-thionaphthol,naphthalenethiol,1-naphthylthiol,unii-9a78cp495h,1-mercaptonaphthalene,.alpha.-naphthyl mercaptan,naphthalene thiol,1-napthalenethiol,naphthalen-1-thiol
IUPAC Name naphthalene-1-thiol
InChI Key SEXOVMIIVBKGGM-UHFFFAOYSA-M
Molecular Formula C10H7S
1,931
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3-Bromothiophenol, 95%

CAS: 6320-01-0 Molecular Formula: C6H5BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00009603 InChI Key: HNGQQUDFJDROPY-UHFFFAOYSA-N Synonym: 3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,# PubChem CID: 80597 IUPAC Name: 3-bromobenzenethiol SMILES: SC1=CC=CC(Br)=C1

PubChem CID 80597
CAS 6320-01-0
Molecular Weight (g/mol) 189.07
MDL Number MFCD00009603
SMILES SC1=CC=CC(Br)=C1
Synonym 3-bromothiophenol,m-bromobenzenethiol,m-bromothiophenol,3-bromo thiophenol,3-bromobenzene-1-thiol,benzenethiol, 3-bromo,3-bromophenyl mercaptan,3-bromo-benzenethiol,pubchem6805,#
IUPAC Name 3-bromobenzenethiol
InChI Key HNGQQUDFJDROPY-UHFFFAOYSA-N
Molecular Formula C6H5BrS
1,932
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3-Bromophenyl isocyanate, 97%

CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O

PubChem CID 141001
CAS 23138-55-8
Molecular Weight (g/mol) 198.02
MDL Number MFCD00002014
SMILES BrC1=CC=CC(=C1)N=C=O
Synonym 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f
IUPAC Name 1-bromo-3-isocyanatobenzene
InChI Key VQVBCZQTXSHJGF-UHFFFAOYSA-N
Molecular Formula C7H4BrNO
1,933
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2-Amino-5-nitrophenol, 95%

CAS: 121-88-0 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.125 MDL Number: MFCD00007692 InChI Key: DOPJTDJKZNWLRB-UHFFFAOYSA-N Synonym: 2-hydroxy-4-nitroaniline,5-nitro-2-aminophenol,phenol, 2-amino-5-nitro,ursol yellow brown a,rodol yba,3-nitro-6-aminophenol,3-hydroxy-4-aminonitrobenzene,2-amino-5-nitro-phenol,ccris 754,4-amino-3-hydroxynitrobenzene PubChem CID: 4984721 ChEBI: CHEBI:82384 IUPAC Name: 2-amino-5-nitrophenol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)N

PubChem CID 4984721
CAS 121-88-0
Molecular Weight (g/mol) 154.125
ChEBI CHEBI:82384
MDL Number MFCD00007692
SMILES C1=CC(=C(C=C1[N+](=O)[O-])O)N
Synonym 2-hydroxy-4-nitroaniline,5-nitro-2-aminophenol,phenol, 2-amino-5-nitro,ursol yellow brown a,rodol yba,3-nitro-6-aminophenol,3-hydroxy-4-aminonitrobenzene,2-amino-5-nitro-phenol,ccris 754,4-amino-3-hydroxynitrobenzene
IUPAC Name 2-amino-5-nitrophenol
InChI Key DOPJTDJKZNWLRB-UHFFFAOYSA-N
Molecular Formula C6H6N2O3
1,934
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4,4'-Dimethoxybenzhydrol, 98+%

CAS: 728-87-0 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00008410 InChI Key: ZODAOVNETBTTJX-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzhydrol,bis 4-methoxyphenyl methanol,p,p'-dimethoxybenzhydryl alcohol,p,p'-dimethoxybenzhydrol,bis p-methoxyphenyl carbinol,benzenemethanol, 4-methoxy-.alpha.-4-methoxyphenyl,4-methoxy-4'-methoxybenzhydrol,bis 4-methoxyphenyl methan-1-ol,benzhydrol, 4,4'-dimethoxy,acmc-209ooh PubChem CID: 69768 IUPAC Name: bis(4-methoxyphenyl)methanol SMILES: COC1=CC=C(C=C1)C(O)C1=CC=C(OC)C=C1

PubChem CID 69768
CAS 728-87-0
Molecular Weight (g/mol) 244.29
MDL Number MFCD00008410
SMILES COC1=CC=C(C=C1)C(O)C1=CC=C(OC)C=C1
Synonym 4,4'-dimethoxybenzhydrol,bis 4-methoxyphenyl methanol,p,p'-dimethoxybenzhydryl alcohol,p,p'-dimethoxybenzhydrol,bis p-methoxyphenyl carbinol,benzenemethanol, 4-methoxy-.alpha.-4-methoxyphenyl,4-methoxy-4'-methoxybenzhydrol,bis 4-methoxyphenyl methan-1-ol,benzhydrol, 4,4'-dimethoxy,acmc-209ooh
IUPAC Name bis(4-methoxyphenyl)methanol
InChI Key ZODAOVNETBTTJX-UHFFFAOYSA-N
Molecular Formula C15H16O3
1,935
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9,10-Diethoxyanthracene, 98%

CAS: 68818-86-0 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00209643 InChI Key: GJNKQJAJXSUJBO-UHFFFAOYSA-N Synonym: anthracene, 9,10-diethoxy,acmc-1bigo PubChem CID: 111623 IUPAC Name: 9,10-diethoxyanthracene SMILES: CCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCC

PubChem CID 111623
CAS 68818-86-0
Molecular Weight (g/mol) 266.34
MDL Number MFCD00209643
SMILES CCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCC
Synonym anthracene, 9,10-diethoxy,acmc-1bigo
IUPAC Name 9,10-diethoxyanthracene
InChI Key GJNKQJAJXSUJBO-UHFFFAOYSA-N
Molecular Formula C18H18O2