CAS RN: 175-93-9
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C30H24N2O9
MOLECULAR WEIGHT: 556.51956
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 1748-04-5
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C30H24N2O9
MOLECULAR WEIGHT: 556.51956
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 52522-99-3
CAS Name: 5-iodo-2,4-dimethoxypyrimidine
OPENEYE Name: 5-iodo-2,4-dimethoxy-pyrimidine
IUPAC Name: 5-iodo-2,4-dimethoxypyrimidine
SYSTEMATIC NAME: 5-iodanyl-2,4-dimethoxy-pyrimidine
MOLECULAR FORMULA: C6H7IN2O2
MOLECULAR WEIGHT: 266.03645
SMILES: COC1=NC(=NC=C1I)OC
Structure:
CAS RN: 5016-24-0
CAS Name: 6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione
OPENEYE Name: 6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione
IUPAC Name: 6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione
SYSTEMATIC NAME: 6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione
MOLECULAR FORMULA: C6H5N5O4
MOLECULAR WEIGHT: 211.135
SMILES: CN1C(=O)C(=C2NN=CN2C1=O)[N+](=O)[O-]
Structure:
CAS RN: 14676-52-9
CAS Name: 2-(2-phenylphenyl)acetic acid
OPENEYE Name: 2-(2-phenylphenyl)acetic acid
IUPAC Name: 2-(2-phenylphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-phenylphenyl)ethanoic acid
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CC(=O)O
Structure:
CAS RN: 19347-73-0
CAS Name: (2-phenylphenyl)methanamine
OPENEYE Name: (2-phenylphenyl)methanamine
IUPAC Name: (2-phenylphenyl)methanamine
SYSTEMATIC NAME: (2-phenylphenyl)methanamine
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CN
Structure:
CAS RN: 1924-77-2
CAS Name: (2-phenylphenyl)methanamine
OPENEYE Name: (2-phenylphenyl)methanamine
IUPAC Name: (2-phenylphenyl)methanamine
SYSTEMATIC NAME: (2-phenylphenyl)methanamine
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CN
Structure:
CAS RN: 52737-49-2
CAS Name: 1,4-diphenylnaphthalene-2,3-diol
OPENEYE Name: 1,4-diphenylnaphthalene-2,3-diol
IUPAC Name: 1,4-diphenylnaphthalene-2,3-diol
SYSTEMATIC NAME: 1,4-diphenylnaphthalene-2,3-diol
MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C32)C4=CC=CC=C4)O)O
Structure:
CAS RN: 56282-16-7
CAS Name: 3-methyl-3-(1-naphthalenyl)-1-isobenzofuranone
OPENEYE Name: 3-methyl-3-(1-naphthyl)isobenzofuran-1-one
IUPAC Name: 3-methyl-3-naphthalen-1-yl-2-benzofuran-1-one
SYSTEMATIC NAME: 3-methyl-3-naphthalen-1-yl-2-benzofuran-1-one
MOLECULAR FORMULA: C19H14O2
MOLECULAR WEIGHT: 274.31326
SMILES: CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 56688-82-5
CAS Name: 3-methyl-3-(1-naphthalenyl)-1-isobenzofuranone
OPENEYE Name: 3-methyl-3-(1-naphthyl)isobenzofuran-1-one
IUPAC Name: 3-methyl-3-naphthalen-1-yl-2-benzofuran-1-one
SYSTEMATIC NAME: 3-methyl-3-naphthalen-1-yl-2-benzofuran-1-one
MOLECULAR FORMULA: C19H14O2
MOLECULAR WEIGHT: 274.31326
SMILES: CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 1997-07-5
CAS Name: 2-fluoro-6-[2-naphthalenyl(oxo)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-fluoro-6-(naphthalene-2-carbonyl)benzoate
IUPAC Name: methyl 2-fluoro-6-(naphthalene-2-carbonyl)benzoate
SYSTEMATIC NAME: methyl 2-fluoranyl-6-naphthalen-2-ylcarbonyl-benzoate
MOLECULAR FORMULA: C19H13FO3
MOLECULAR WEIGHT: 308.303123
SMILES: COC(=O)C1=C(C=CC=C1F)C(=O)C2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 1997-06-4
CAS Name: 4-fluoro-3-methyl-3-(2-naphthalenyl)-1-isobenzofuranone
OPENEYE Name: 4-fluoro-3-methyl-3-(2-naphthyl)isobenzofuran-1-one
IUPAC Name: 4-fluoro-3-methyl-3-naphthalen-2-yl-2-benzofuran-1-one
SYSTEMATIC NAME: 4-fluoranyl-3-methyl-3-naphthalen-2-yl-2-benzofuran-1-one
MOLECULAR FORMULA: C19H13FO2
MOLECULAR WEIGHT: 292.303723
SMILES: CC1(C2=C(C=CC=C2F)C(=O)O1)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 6252-47-7
CAS Name: 2-(1-phenyl-2-naphthalenyl)acetic acid
OPENEYE Name: 2-(1-phenyl-2-naphthyl)acetic acid
IUPAC Name: 2-(1-phenylnaphthalen-2-yl)acetic acid
SYSTEMATIC NAME: 2-(1-phenylnaphthalen-2-yl)ethanoic acid
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1=CC=C(C=C1)C2=C(C=CC3=CC=CC=C32)CC(=O)O
Structure:
CAS RN: 94-51-9
CAS Name: 2-[2-(1-naphthalenyl)phenyl]acetic acid
OPENEYE Name: 2-[2-(1-naphthyl)phenyl]acetic acid
IUPAC Name: 2-(2-naphthalen-1-ylphenyl)acetic acid
SYSTEMATIC NAME: 2-(2-naphthalen-1-ylphenyl)ethanoic acid
MOLECULAR FORMULA: C18H14O2
MOLECULAR WEIGHT: 262.30256
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3CC(=O)O
Structure:
CAS RN: 4176-46-9
CAS Name: 3-benzo[g]phenanthrenamine
OPENEYE Name: benzo[g]phenanthren-3-amine
IUPAC Name: benzo[g]phenanthren-3-amine
SYSTEMATIC NAME: benzo[g]phenanthren-3-amine
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=C(C=C4)N
Structure:
CAS RN: 89928-12-1
CAS Name: 2-[2-(1-naphthalenyl)phenyl]acetonitrile
OPENEYE Name: 2-[2-(1-naphthyl)phenyl]acetonitrile
IUPAC Name: 2-(2-naphthalen-1-ylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(2-naphthalen-1-ylphenyl)ethanenitrile
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3CC#N
Structure:
CAS RN: 154801-74-8
CAS Name: (2-fluorophenyl)-(1-naphthalenyl)methanone
OPENEYE Name: (2-fluorophenyl)-(1-naphthyl)methanone
IUPAC Name: (2-fluorophenyl)-naphthalen-1-ylmethanone
SYSTEMATIC NAME: (2-fluorophenyl)-naphthalen-1-yl-methanone
MOLECULAR FORMULA: C17H11FO
MOLECULAR WEIGHT: 250.267043
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 15481-39-7
CAS Name: (2-fluorophenyl)-(2-naphthalenyl)methanone
OPENEYE Name: (2-fluorophenyl)-(2-naphthyl)methanone
IUPAC Name: (2-fluorophenyl)-naphthalen-2-ylmethanone
SYSTEMATIC NAME: (2-fluorophenyl)-naphthalen-2-yl-methanone
MOLECULAR FORMULA: C17H11FO
MOLECULAR WEIGHT: 250.267043
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 13728-81-9
CAS Name: 2-methyl-1,2-dihydrobenzo[j]aceanthrylene
OPENEYE Name: 2-methyl-1,2-dihydrobenzo[j]aceanthrylene
IUPAC Name: 2-methyl-1,2-dihydrobenzo[j]aceanthrylene
SYSTEMATIC NAME: 2-methyl-1,2-dihydrobenzo[j]aceanthrylene
MOLECULAR FORMULA: C21H16
MOLECULAR WEIGHT: 268.35174
SMILES: CC1CC2=C3C1=CC=CC3=CC4=C2C=CC5=CC=CC=C54
Structure:
CAS RN: 67952-27-6
CAS Name: 2-[(2-methoxyphenyl)methylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(2-methoxyphenyl)methylene]propanedioate
IUPAC Name: diethyl 2-[(2-methoxyphenyl)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[(2-methoxyphenyl)methylidene]propanedioate
MOLECULAR FORMULA: C15H18O5
MOLECULAR WEIGHT: 278.30042
SMILES: CCOC(=O)C(=CC1=CC=CC=C1OC)C(=O)OCC
Structure:
CAS RN: 903-53-7
CAS Name: 4-bromo-2,5,7-trinitro-9-fluorenone
OPENEYE Name: 4-bromo-2,5,7-trinitro-fluoren-9-one
IUPAC Name: 4-bromo-2,5,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 4-bromanyl-2,5,7-trinitro-fluoren-9-one
MOLECULAR FORMULA: C13H4BrN3O7
MOLECULAR WEIGHT: 394.09076
SMILES: C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]
Structure:
CAS RN: 32818-80-7
CAS Name: (2S,3S)-2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid
OPENEYE Name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
IUPAC Name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
SYSTEMATIC NAME: (2S,3S)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid
MOLECULAR FORMULA: C20H18O8
MOLECULAR WEIGHT: 386.35212
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
Structure:
CAS RN: 32634-68-7
CAS Name: (2S,3S)-2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid
OPENEYE Name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
IUPAC Name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
SYSTEMATIC NAME: (2S,3S)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid
MOLECULAR FORMULA: C20H18O8
MOLECULAR WEIGHT: 386.35212
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
Structure:
CAS RN: 15658-11-4
CAS Name: 4-[hydroxy(diphenyl)methyl]phenol
OPENEYE Name: 4-[hydroxy(diphenyl)methyl]phenol
IUPAC Name: 4-[hydroxy(diphenyl)methyl]phenol
SYSTEMATIC NAME: 4-[oxidanyl(diphenyl)methyl]phenol
MOLECULAR FORMULA: C19H16O2
MOLECULAR WEIGHT: 276.32914
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)O)O
Structure:
CAS RN: 20009-25-0
CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C13H17N3O2S2
MOLECULAR WEIGHT: 311.42298
SMILES: CCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 19362-77-7
CAS Name: 2-butoxyoxane
OPENEYE Name: 2-butoxytetrahydropyran
IUPAC Name: 2-butoxyoxane
SYSTEMATIC NAME: 2-butoxyoxane
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCOC1CCCCO1
Structure:
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