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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 (64,928)
Phenols (11,906)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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421 – 435 of 73,813 results
421

Coronene, 95%

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61

PubChem CID 9115
CAS 191-07-1
Molecular Weight (g/mol) 300.36
ChEBI CHEBI:29863
MDL Number MFCD00004134
SMILES C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
Synonym hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul
IUPAC Name coronene
InChI Key VPUGDVKSAQVFFS-UHFFFAOYSA-N
Molecular Formula C24H12
422

Celecoxib 98.0+%, TCI America™
SDP

CAS: 169590-42-5 Molecular Formula: C17H14F3N3O2S Molecular Weight (g/mol): 381.373 MDL Number: MFCD00941298 InChI Key: RZEKVGVHFLEQIL-UHFFFAOYSA-N Synonym: celecoxib,celebrex,celebra,onsenal,celocoxib,celecox,xilebao,4-5-4-methylphenyl-3-trifluoromethyl-1h-pyrazol-1-yl benzenesulfonamide,celecoxib usan,celecoxib old rn PubChem CID: 2662 ChEBI: CHEBI:41423 IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

PubChem CID 2662
CAS 169590-42-5
Molecular Weight (g/mol) 381.373
ChEBI CHEBI:41423
MDL Number MFCD00941298
SMILES CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Synonym celecoxib,celebrex,celebra,onsenal,celocoxib,celecox,xilebao,4-5-4-methylphenyl-3-trifluoromethyl-1h-pyrazol-1-yl benzenesulfonamide,celecoxib usan,celecoxib old rn
IUPAC Name 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChI Key RZEKVGVHFLEQIL-UHFFFAOYSA-N
Molecular Formula C17H14F3N3O2S
423

2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 11087
CAS 552-16-9
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:25620
MDL Number MFCD00007137
SMILES C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
424

Rosin, gum

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

CAS 8050-09-7
Molecular Weight (g/mol) 302.46
MDL Number MFCD00132205
Synonym 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChI Key RSWGJHLUYNHPMX-UHFFFAOYNA-N
Molecular Formula C20H30O2
425

Methoxychlor

CAS: 72-43-5 Molecular Formula: C16H15Cl3O2 Molecular Weight (g/mol): 345.644 MDL Number: MFCD00000803 InChI Key: IAKOZHOLGAGEJT-UHFFFAOYSA-N Synonym: methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie PubChem CID: 4115 ChEBI: CHEBI:6842 IUPAC Name: 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl

PubChem CID 4115
CAS 72-43-5
Molecular Weight (g/mol) 345.644
ChEBI CHEBI:6842
MDL Number MFCD00000803
SMILES COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
Synonym methoxychlor,p,p'-methoxychlor,dmdt,dimethoxy-ddt,methoxy-ddt,methoxcide,metox,maralate,marlate,moxie
IUPAC Name 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
InChI Key IAKOZHOLGAGEJT-UHFFFAOYSA-N
Molecular Formula C16H15Cl3O2
426

Phenylethyl 3,4-dihydroxycinnamate, 98+%

CAS: 104594-70-9 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00866470 InChI Key: SWUARLUWKZWEBQ-VQHVLOKHSA-N Synonym: caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester PubChem CID: 5281787 ChEBI: CHEBI:8062 IUPAC Name: 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O

PubChem CID 5281787
CAS 104594-70-9
Molecular Weight (g/mol) 284.31
ChEBI CHEBI:8062
MDL Number MFCD00866470
SMILES OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O
Synonym caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester
IUPAC Name 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Molecular Formula C17H16O4
427

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde, 99%

CAS: 93249-62-8 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00075249 InChI Key: WQUZBERVMUEJTD-UHFFFAOYSA-N PubChem CID: 1268058 IUPAC Name: 2-hydroxy-5-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=C(C=C1OC(F)(F)F)C=O)O

PubChem CID 1268058
CAS 93249-62-8
Molecular Weight (g/mol) 206.12
MDL Number MFCD00075249
SMILES C1=CC(=C(C=C1OC(F)(F)F)C=O)O
IUPAC Name 2-hydroxy-5-(trifluoromethoxy)benzaldehyde
InChI Key WQUZBERVMUEJTD-UHFFFAOYSA-N
Molecular Formula C8H5F3O3
428

3-(Trifluoromethyl)benzoyl chloride, 98%

CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.57 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl

PubChem CID 75257
CAS 2251-65-2
Molecular Weight (g/mol) 208.57
MDL Number MFCD00000680
SMILES C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
Synonym 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468
IUPAC Name 3-(trifluoromethyl)benzoyl chloride
InChI Key RUJYJCANMOTJMO-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
429

2,4-Dichlorobenzoyl chloride, 98%

CAS: 89-75-8 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000661 InChI Key: CEOCVKWBUWKBKA-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p PubChem CID: 66645 IUPAC Name: 2,4-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Cl)C=C1Cl

PubChem CID 66645
CAS 89-75-8
Molecular Weight (g/mol) 209.45
MDL Number MFCD00000661
SMILES ClC(=O)C1=CC=C(Cl)C=C1Cl
Synonym benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p
IUPAC Name 2,4-dichlorobenzoyl chloride
InChI Key CEOCVKWBUWKBKA-UHFFFAOYSA-N
Molecular Formula C7H3Cl3O
430

trans,trans-1,4-Diphenyl-1,3-butadiene, 98+%

CAS: 538-81-8 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl PubChem CID: 641683 ChEBI: CHEBI:35100 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1

PubChem CID 641683
CAS 538-81-8
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:35100
MDL Number MFCD00004791
SMILES C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
Synonym bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl
IUPAC Name [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
InChI Key JFLKFZNIIQFQBS-FNCQTZNRSA-N
Molecular Formula C16H14
431

Iodobenzene diacetate, 98%

CAS: 3240-34-4 Molecular Formula: C10H11IO4 Molecular Weight (g/mol): 322.09 InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N Synonym: iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo PubChem CID: 76724 IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C

PubChem CID 76724
CAS 3240-34-4
Molecular Weight (g/mol) 322.09
SMILES CC(=O)OI(C1=CC=CC=C1)OC(=O)C
Synonym iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo
IUPAC Name [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate
InChI Key ZBIKORITPGTTGI-UHFFFAOYSA-N
Molecular Formula C10H11IO4
432

Sodium hippurate, 96%

CAS: 532-94-5 Molecular Formula: C9H8NNaO3 Molecular Weight (g/mol): 201.157 MDL Number: MFCD00002693 InChI Key: ZBCAZEFVTIBZJS-UHFFFAOYSA-M Synonym: sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt PubChem CID: 516953 IUPAC Name: sodium;2-benzamidoacetate SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]

PubChem CID 516953
CAS 532-94-5
Molecular Weight (g/mol) 201.157
MDL Number MFCD00002693
SMILES C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]
Synonym sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt
IUPAC Name sodium;2-benzamidoacetate
InChI Key ZBCAZEFVTIBZJS-UHFFFAOYSA-M
Molecular Formula C9H8NNaO3
433

o-Dianisidine, free base, 99.9%, MP Biomedicals™

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

PubChem CID 8411
CAS 119-90-4
Molecular Weight (g/mol) 244.294
ChEBI CHEBI:82321
SMILES COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula C14H16N2O2
434

alpha-Bromostyrene, 95%, stabilized

CAS: 98-81-7 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00012229 InChI Key: SRXJYTZCORKVNA-UHFFFAOYSA-N Synonym: 1-bromovinyl benzene,alpha-bromostyrene,benzene, 1-bromoethenyl,1-bromostyrene,styrene, alpha-bromo,1-phenylvinyl bromide,alpha-bromostyrol russian,styrene, .alpha.-bromo,unii-lf0sj1821n,alpha-bromostyrol PubChem CID: 66828 IUPAC Name: 1-bromoethenylbenzene SMILES: BrC(=C)C1=CC=CC=C1

PubChem CID 66828
CAS 98-81-7
Molecular Weight (g/mol) 183.05
MDL Number MFCD00012229
SMILES BrC(=C)C1=CC=CC=C1
Synonym 1-bromovinyl benzene,alpha-bromostyrene,benzene, 1-bromoethenyl,1-bromostyrene,styrene, alpha-bromo,1-phenylvinyl bromide,alpha-bromostyrol russian,styrene, .alpha.-bromo,unii-lf0sj1821n,alpha-bromostyrol
IUPAC Name 1-bromoethenylbenzene
InChI Key SRXJYTZCORKVNA-UHFFFAOYSA-N
Molecular Formula C8H7Br
435

2'-Iodo-1,1':3',1″-terphenyl, 99%

CAS: 82777-09-1 Molecular Formula: C18H13I Molecular Weight (g/mol): 356.21 MDL Number: MFCD00185026 InChI Key: RLZYBGOJAWOQMK-UHFFFAOYSA-N Synonym: 2'-iodo-1,1':3',1-terphenyl,rlzybgojawoqmk-uhfffaoysa,2'-iodo-1,1':3',1-terbenzene,2-iodo-3-phenyl-1,1'-biphenyl,1,1':3',1-terphenyl, 2'-iodo,2'-iodo-1,1',3',1 terphenyl PubChem CID: 4078433 IUPAC Name: 2-iodo-1,3-diphenylbenzene SMILES: IC1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 4078433
CAS 82777-09-1
Molecular Weight (g/mol) 356.21
MDL Number MFCD00185026
SMILES IC1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2'-iodo-1,1':3',1-terphenyl,rlzybgojawoqmk-uhfffaoysa,2'-iodo-1,1':3',1-terbenzene,2-iodo-3-phenyl-1,1'-biphenyl,1,1':3',1-terphenyl, 2'-iodo,2'-iodo-1,1',3',1 terphenyl
IUPAC Name 2-iodo-1,3-diphenylbenzene
InChI Key RLZYBGOJAWOQMK-UHFFFAOYSA-N
Molecular Formula C18H13I