CAS RN: 5116-63-2
CAS Name: phenalene-1,2,3-trione
OPENEYE Name: phenalene-1,2,3-trione
IUPAC Name: phenalene-1,2,3-trione
SYSTEMATIC NAME: phenalene-1,2,3-trione
MOLECULAR FORMULA: C13H6O3
MOLECULAR WEIGHT: 210.18494
SMILES: C1=CC2=C3C(=C1)C(=O)C(=O)C(=O)C3=CC=C2
Structure:
CAS RN: 5587-63-3
CAS Name: 2,3,3-trimethyl-1-cyclopentenecarboxylic acid
OPENEYE Name: 2,3,3-trimethylcyclopentene-1-carboxylic acid
IUPAC Name: 2,3,3-trimethylcyclopentene-1-carboxylic acid
SYSTEMATIC NAME: 2,3,3-trimethylcyclopentene-1-carboxylic acid
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CC1=C(CCC1(C)C)C(=O)O
Structure:
CAS RN: 23783-80-4
CAS Name: 2-(3,6-dioxo-1-cyclohexa-1,4-dienyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-benzoquinone
IUPAC Name: 2-(3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H6O4
MOLECULAR WEIGHT: 214.17364
SMILES: C1=CC(=O)C(=CC1=O)C2=CC(=O)C=CC2=O
Structure:
CAS RN: 13167-95-8
CAS Name: 2-hydroxyiminoindene-1,3-dione
OPENEYE Name: 2-hydroxyiminoindane-1,3-dione
IUPAC Name: 2-hydroxyiminoindene-1,3-dione
SYSTEMATIC NAME: 2-hydroxyiminoindene-1,3-dione
MOLECULAR FORMULA: C9H5NO3
MOLECULAR WEIGHT: 175.1409
SMILES: C1=CC=C2C(=C1)C(=O)C(=NO)C2=O
Structure:
CAS RN: 4204-49-3
CAS Name: benzoic acid (4-prop-2-enylphenyl) ester
OPENEYE Name: (4-allylphenyl) benzoate
IUPAC Name: (4-prop-2-enylphenyl) benzoate
SYSTEMATIC NAME: (4-prop-2-enylphenyl) benzoate
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: C=CCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 42981-08-8
CAS Name: 2-chloro-1-(3,4-dichlorophenyl)ethanone
OPENEYE Name: 2-chloro-1-(3,4-dichlorophenyl)ethanone
IUPAC Name: 2-chloro-1-(3,4-dichlorophenyl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(3,4-dichlorophenyl)ethanone
MOLECULAR FORMULA: C8H5Cl3O
MOLECULAR WEIGHT: 223.4837
SMILES: C1=CC(=C(C=C1C(=O)CCl)Cl)Cl
Structure:
CAS RN: 53454-78-7
CAS Name: 1,6-diphenylhexane-1,3,4,6-tetrone
OPENEYE Name: 1,6-diphenylhexane-1,3,4,6-tetrone
IUPAC Name: 1,6-diphenylhexane-1,3,4,6-tetrone
SYSTEMATIC NAME: 1,6-diphenylhexane-1,3,4,6-tetrone
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C(=O)CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 25798-61-2
CAS Name: 1-(2-nitrosophenyl)ethanone
OPENEYE Name: 1-(2-nitrosophenyl)ethanone
IUPAC Name: 1-(2-nitrosophenyl)ethanone
SYSTEMATIC NAME: 1-(2-nitrosophenyl)ethanone
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: CC(=O)C1=CC=CC=C1N=O
Structure:
CAS RN: 10496-92-1
CAS Name: 2-(hydroxymethyl)-4,5-dimethylphenol
OPENEYE Name: 2-(hydroxymethyl)-4,5-dimethyl-phenol
IUPAC Name: 2-(hydroxymethyl)-4,5-dimethylphenol
SYSTEMATIC NAME: 2-(hydroxymethyl)-4,5-dimethyl-phenol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CC1=CC(=C(C=C1C)O)CO
Structure:
CAS RN: 38031-55-9
CAS Name: 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-propanol
OPENEYE Name: 2-(5-isopropyl-4-methoxy-2-methyl-phenyl)propan-2-ol
IUPAC Name: 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-2-ol
SYSTEMATIC NAME: 2-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)propan-2-ol
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CC1=CC(=C(C=C1C(C)(C)O)C(C)C)OC
Structure:
CAS RN: 83208-06-4
CAS Name: 2-(2,4-dimethylphenyl)-2-propanol
OPENEYE Name: 2-(2,4-dimethylphenyl)propan-2-ol
IUPAC Name: 2-(2,4-dimethylphenyl)propan-2-ol
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)propan-2-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=CC(=C(C=C1)C(C)(C)O)C
Structure:
CAS RN: 4270-96-6
CAS Name: benzene-1,2,3,4,5-pentol
OPENEYE Name: benzene-1,2,3,4,5-pentol
IUPAC Name: benzene-1,2,3,4,5-pentol
SYSTEMATIC NAME: benzene-1,2,3,4,5-pentol
MOLECULAR FORMULA: C6H6O5
MOLECULAR WEIGHT: 158.10884
SMILES: C1=C(C(=C(C(=C1O)O)O)O)O
Structure:
CAS RN: 27711-63-3
CAS Name: [3-(hydroxymethyl)-5-methylphenyl]methanol
OPENEYE Name: [3-(hydroxymethyl)-5-methyl-phenyl]methanol
IUPAC Name: [3-(hydroxymethyl)-5-methylphenyl]methanol
SYSTEMATIC NAME: [3-(hydroxymethyl)-5-methyl-phenyl]methanol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CC1=CC(=CC(=C1)CO)CO
Structure:
CAS RN: 38320-20-6
CAS Name: 2,6-dicyclohexyl-1-cyclohexanone
OPENEYE Name: 2,6-dicyclohexylcyclohexanone
IUPAC Name: 2,6-dicyclohexylcyclohexan-1-one
SYSTEMATIC NAME: 2,6-dicyclohexylcyclohexan-1-one
MOLECULAR FORMULA: C18H30O
MOLECULAR WEIGHT: 262.4302
SMILES: C1CCC(CC1)C2CCCC(C2=O)C3CCCCC3
Structure:
CAS RN: 55846-07-6
CAS Name: 4-(phenoxymethyl)phenol
OPENEYE Name: 4-(phenoxymethyl)phenol
IUPAC Name: 4-(phenoxymethyl)phenol
SYSTEMATIC NAME: 4-(phenoxymethyl)phenol
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: C1=CC=C(C=C1)OCC2=CC=C(C=C2)O
Structure:
CAS RN: 1515-83-9
CAS Name: 1-(methoxymethyl)-4-nitrobenzene
OPENEYE Name: 1-(methoxymethyl)-4-nitro-benzene
IUPAC Name: 1-(methoxymethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(methoxymethyl)-4-nitro-benzene
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: COCC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 2217-06-3
CAS Name: 1,3,5-trinitro-2-[(2,4,6-trinitrophenyl)thio]benzene
OPENEYE Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanyl-benzene
IUPAC Name: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanylbenzene
SYSTEMATIC NAME: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)sulfanyl-benzene
MOLECULAR FORMULA: C12H4N6O12S
MOLECULAR WEIGHT: 456.25816
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 10504-99-1
CAS Name: phenylselenonylbenzene
OPENEYE Name: phenylselenonylbenzene
IUPAC Name: phenylselenonylbenzene
SYSTEMATIC NAME: phenylselenonylbenzene
MOLECULAR FORMULA: C12H10O2Se
MOLECULAR WEIGHT: 265.1666
SMILES: C1=CC=C(C=C1)[Se](=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 51225-20-8
CAS Name: 2,6-dichloro-4-ethoxyaniline
OPENEYE Name: 2,6-dichloro-4-ethoxy-aniline
IUPAC Name: 2,6-dichloro-4-ethoxyaniline
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-ethoxy-aniline
MOLECULAR FORMULA: C8H9Cl2NO
MOLECULAR WEIGHT: 206.06916
SMILES: CCOC1=CC(=C(C(=C1)Cl)N)Cl
Structure:
CAS RN: 22063-32-7
CAS Name: propane-2,2-disulfonic acid diphenyl ester
OPENEYE Name: diphenyl propane-2,2-disulfonate
IUPAC Name: diphenyl propane-2,2-disulfonate
SYSTEMATIC NAME: diphenyl propane-2,2-disulfonate
MOLECULAR FORMULA: C15H16O6S2
MOLECULAR WEIGHT: 356.41394
SMILES: CC(C)(S(=O)(=O)OC1=CC=CC=C1)S(=O)(=O)OC2=CC=CC=C2
Structure:
CAS RN: 16156-59-5
CAS Name: methanesulfonic acid phenyl ester
OPENEYE Name: phenyl methanesulfonate
IUPAC Name: phenyl methanesulfonate
SYSTEMATIC NAME: phenyl methanesulfonate
MOLECULAR FORMULA: C7H8O3S
MOLECULAR WEIGHT: 172.20162
SMILES: CS(=O)(=O)OC1=CC=CC=C1
Structure:
CAS RN: 27826-42-2
CAS Name: 1-nitro-4-(propylthio)benzene
OPENEYE Name: 1-nitro-4-propylsulfanyl-benzene
IUPAC Name: 1-nitro-4-propylsulfanylbenzene
SYSTEMATIC NAME: 1-nitro-4-propylsulfanyl-benzene
MOLECULAR FORMULA: C9H11NO2S
MOLECULAR WEIGHT: 197.25414
SMILES: CCCSC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 10242-18-9
CAS Name: 2,4-dinitro-1-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-2,4-dinitro-benzene
IUPAC Name: 2,4-dinitro-1-prop-2-enoxybenzene
SYSTEMATIC NAME: 2,4-dinitro-1-prop-2-enoxy-benzene
MOLECULAR FORMULA: C9H8N2O5
MOLECULAR WEIGHT: 224.17022
SMILES: C=CCOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 18105-72-1
CAS Name: tris(tert-butylthio)-chlorosilane
OPENEYE Name: tris(tert-butylsulfanyl)-chloro-silane
IUPAC Name: tris(tert-butylsulfanyl)-chlorosilane
SYSTEMATIC NAME: tris(tert-butylsulfanyl)-chloranyl-silane
MOLECULAR FORMULA: C12H27ClS3Si
MOLECULAR WEIGHT: 331.07628
SMILES: CC(C)(C)S[Si](SC(C)(C)C)(SC(C)(C)C)Cl
Structure:
CAS RN: 31951-12-9
CAS Name: 4-tert-butyl-3-nitroaniline
OPENEYE Name: 4-tert-butyl-3-nitro-aniline
IUPAC Name: 4-tert-butyl-3-nitroaniline
SYSTEMATIC NAME: 4-tert-butyl-3-nitro-aniline
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC(C)(C)C1=C(C=C(C=C1)N)[N+](=O)[O-]
Structure:
CAS RN: 19294-04-3
CAS Name: 1,3-bis(bromomethyl)-5-methylbenzene
OPENEYE Name: 1,3-bis(bromomethyl)-5-methyl-benzene
IUPAC Name: 1,3-bis(bromomethyl)-5-methylbenzene
SYSTEMATIC NAME: 1,3-bis(bromomethyl)-5-methyl-benzene
MOLECULAR FORMULA: C9H10Br2
MOLECULAR WEIGHT: 277.9837
SMILES: CC1=CC(=CC(=C1)CBr)CBr
Structure:
CAS RN: 2064-94-0
CAS Name: 3,9-dihexyl-2,4,8,10-tetraoxaspiro[5.5]undecane
OPENEYE Name: 3,9-dihexyl-2,4,8,10-tetraoxaspiro[5.5]undecane
IUPAC Name: 3,9-dihexyl-2,4,8,10-tetraoxaspiro[5.5]undecane
SYSTEMATIC NAME: 3,9-dihexyl-2,4,8,10-tetraoxaspiro[5.5]undecane
MOLECULAR FORMULA: C19H36O4
MOLECULAR WEIGHT: 328.48674
SMILES: CCCCCCC1OCC2(CO1)COC(OC2)CCCCCC
Structure:
CAS RN: 21623-88-1
CAS Name: 1,1-bis(bromomethyl)cyclohexane
OPENEYE Name: 1,1-bis(bromomethyl)cyclohexane
IUPAC Name: 1,1-bis(bromomethyl)cyclohexane
SYSTEMATIC NAME: 1,1-bis(bromomethyl)cyclohexane
MOLECULAR FORMULA: C8H14Br2
MOLECULAR WEIGHT: 270.00476
SMILES: C1CCC(CC1)(CBr)CBr
Structure:
CAS RN: 18166-43-3
CAS Name: hydroxy-tris[(2-methylpropan-2-yl)oxy]silane
OPENEYE Name: tritert-butoxy(hydroxy)silane
IUPAC Name: hydroxy-tris[(2-methylpropan-2-yl)oxy]silane
SYSTEMATIC NAME: tris[(2-methylpropan-2-yl)oxy]-oxidanyl-silane
MOLECULAR FORMULA: C12H28O4Si
MOLECULAR WEIGHT: 264.43382
SMILES: CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C
Structure:
CAS RN: 18862-78-7
CAS Name: (butan-2-ylthio)-tris(tert-butylthio)silane
OPENEYE Name: tris(tert-butylsulfanyl)-sec-butylsulfanyl-silane
IUPAC Name: butan-2-ylsulfanyl-tris(tert-butylsulfanyl)silane
SYSTEMATIC NAME: butan-2-ylsulfanyl-tris(tert-butylsulfanyl)silane
MOLECULAR FORMULA: C16H36S4Si
MOLECULAR WEIGHT: 384.80254
SMILES: CCC(C)S[Si](SC(C)(C)C)(SC(C)(C)C)SC(C)(C)C
Structure:
CAS RN: 18505-47-0
CAS Name: tris(tert-butylthio)-(cyclohexylthio)silane
OPENEYE Name: tris(tert-butylsulfanyl)-cyclohexylsulfanyl-silane
IUPAC Name: tris(tert-butylsulfanyl)-cyclohexylsulfanylsilane
SYSTEMATIC NAME: tris(tert-butylsulfanyl)-cyclohexylsulfanyl-silane
MOLECULAR FORMULA: C18H38S4Si
MOLECULAR WEIGHT: 410.83982
SMILES: CC(C)(C)S[Si](SC1CCCCC1)(SC(C)(C)C)SC(C)(C)C
Structure:
CAS RN: 4705-20-8
CAS Name: tricyclohexyl tricyclohexyloxysilyl silicate
OPENEYE Name: tricyclohexyl tris(cyclohexoxy)silyl silicate
IUPAC Name: tricyclohexyl tricyclohexyloxysilyl silicate
SYSTEMATIC NAME: tricyclohexyl tricyclohexyloxysilyl silicate
MOLECULAR FORMULA: C36H66O7Si2
MOLECULAR WEIGHT: 667.07604
SMILES: C1CCC(CC1)O[Si](OC2CCCCC2)(OC3CCCCC3)O[Si](OC4CCCCC4)(OC5CCCCC5)OC6CCCCC6
Structure:
CAS RN: 18762-88-4
CAS Name: tetrakis[(4-methylphenyl)thio]silane
OPENEYE Name: tetrakis(p-tolylsulfanyl)silane
IUPAC Name: tetrakis[(4-methylphenyl)sulfanyl]silane
SYSTEMATIC NAME: tetrakis[(4-methylphenyl)sulfanyl]silane
MOLECULAR FORMULA: C28H28S4Si
MOLECULAR WEIGHT: 520.86742
SMILES: CC1=CC=C(C=C1)S[Si](SC2=CC=C(C=C2)C)(SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C
Structure:
CAS RN: 2116-41-8
CAS Name: N-phenylacetohydrazide
OPENEYE Name: N-phenylacetohydrazide
IUPAC Name: N-phenylacetohydrazide
SYSTEMATIC NAME: N-phenylethanehydrazide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CC(=O)N(C1=CC=CC=C1)N
Structure:
CAS RN: 64518-81-6
CAS Name: 4-[(4-nitrophenyl)methylamino]benzoic acid
OPENEYE Name: 4-[(4-nitrophenyl)methylamino]benzoic acid
IUPAC Name: 4-[(4-nitrophenyl)methylamino]benzoic acid
SYSTEMATIC NAME: 4-[(4-nitrophenyl)methylamino]benzoic acid
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: C1=CC(=CC=C1CNC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 69914-27-8
CAS Name: 2,2-bis(methylsulfonyl)ethenylbenzene
OPENEYE Name: 2,2-bis(methylsulfonyl)vinylbenzene
IUPAC Name: 2,2-bis(methylsulfonyl)ethenylbenzene
SYSTEMATIC NAME: 2,2-bis(methylsulfonyl)ethenylbenzene
MOLECULAR FORMULA: C10H12O4S2
MOLECULAR WEIGHT: 260.32988
SMILES: CS(=O)(=O)C(=CC1=CC=CC=C1)S(=O)(=O)C
Structure:
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