CAS RN: 452-84-6
CAS Name: 2-fluoro-5-methylaniline
OPENEYE Name: 2-fluoro-5-methyl-aniline
IUPAC Name: 2-fluoro-5-methylaniline
SYSTEMATIC NAME: 2-fluoranyl-5-methyl-aniline
MOLECULAR FORMULA: C7H8FN
MOLECULAR WEIGHT: 125.143523
SMILES: CC1=CC(=C(C=C1)F)N
Structure:
CAS RN: 51222-26-5
CAS Name: 3-[1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[10-(hydroxymethyl)-13-methyl-1,3,5,11,14-pentakis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O8
MOLECULAR WEIGHT: 438.51126
SMILES: CC12CC(C3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(C(CC(C5)O)O)CO)O)O
Structure:
CAS RN: 508-52-1
CAS Name: 3-[1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[1,3,5,11,14-pentahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[10-(hydroxymethyl)-13-methyl-1,3,5,11,14-pentakis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O8
MOLECULAR WEIGHT: 438.51126
SMILES: CC12CC(C3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(C(CC(C5)O)O)CO)O)O
Structure:
CAS RN: 21386-21-0
CAS Name: 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-mercaptophenyl)benzenethiol
OPENEYE Name: 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-sulfanyl-phenyl)benzenethiol
IUPAC Name: 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-sulfanylphenyl)benzenethiol
SYSTEMATIC NAME: 2,3,5,6-tetrakis(fluoranyl)-4-[2,3,5,6-tetrakis(fluoranyl)-4-sulfanyl-phenyl]benzenethiol
MOLECULAR FORMULA: C12H2F8S2
MOLECULAR WEIGHT: 362.261506
SMILES: C1(=C(C(=C(C(=C1F)F)S)F)F)C2=C(C(=C(C(=C2F)F)S)F)F
Structure:
CAS RN: 19974-66-4
CAS Name: 1-(2,3,4,5,6-pentafluorophenyl)-2-propanol
OPENEYE Name: 1-(2,3,4,5,6-pentafluorophenyl)propan-2-ol
IUPAC Name: 1-(2,3,4,5,6-pentafluorophenyl)propan-2-ol
SYSTEMATIC NAME: 1-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propan-2-ol
MOLECULAR FORMULA: C9H7F5O
MOLECULAR WEIGHT: 226.143296
SMILES: CC(CC1=C(C(=C(C(=C1F)F)F)F)F)O
Structure:
CAS RN: 7151-35-1
CAS Name: 1,2,3,4,5-pentafluoro-6-(1-methylethenyl)benzene
OPENEYE Name: 1,2,3,4,5-pentafluoro-6-isopropenyl-benzene
IUPAC Name: 1,2,3,4,5-pentafluoro-6-prop-1-en-2-ylbenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(fluoranyl)-6-prop-1-en-2-yl-benzene
MOLECULAR FORMULA: C9H5F5
MOLECULAR WEIGHT: 208.128016
SMILES: CC(=C)C1=C(C(=C(C(=C1F)F)F)F)F
Structure:
CAS RN: 75446-59-2
CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]acetic acid
OPENEYE Name: 2-[(4-phenylbenzoyl)amino]acetic acid
IUPAC Name: 2-[(4-phenylbenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(4-phenylphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)O
Structure:
CAS RN: 20714-90-3
CAS Name: 5-phenylpentanoic acid methyl ester
OPENEYE Name: methyl 5-phenylpentanoate
IUPAC Name: methyl 5-phenylpentanoate
SYSTEMATIC NAME: methyl 5-phenylpentanoate
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: COC(=O)CCCCC1=CC=CC=C1
Structure:
CAS RN: 15240-59-2
CAS Name: [1-(4-chlorophenyl)-2-methylpropan-2-yl]urea
OPENEYE Name: [2-(4-chlorophenyl)-1,1-dimethyl-ethyl]urea
IUPAC Name: [1-(4-chlorophenyl)-2-methylpropan-2-yl]urea
SYSTEMATIC NAME: 1-[1-(4-chlorophenyl)-2-methyl-propan-2-yl]urea
MOLECULAR FORMULA: C11H15ClN2O
MOLECULAR WEIGHT: 226.7026
SMILES: CC(C)(CC1=CC=C(C=C1)Cl)NC(=O)N
Structure:
CAS RN: 15278-16-7
CAS Name: [1-(4-chlorophenyl)-2-methylpropan-2-yl]urea
OPENEYE Name: [2-(4-chlorophenyl)-1,1-dimethyl-ethyl]urea
IUPAC Name: [1-(4-chlorophenyl)-2-methylpropan-2-yl]urea
SYSTEMATIC NAME: 1-[1-(4-chlorophenyl)-2-methyl-propan-2-yl]urea
MOLECULAR FORMULA: C11H15ClN2O
MOLECULAR WEIGHT: 226.7026
SMILES: CC(C)(CC1=CC=C(C=C1)Cl)NC(=O)N
Structure:
CAS RN: 57666-53-2
CAS Name: methanesulfonic acid (1,3-dioxo-2-isoindolyl) ester
OPENEYE Name: (1,3-dioxoisoindolin-2-yl) methanesulfonate
IUPAC Name: (1,3-dioxoisoindol-2-yl) methanesulfonate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)isoindol-2-yl] methanesulfonate
MOLECULAR FORMULA: C9H7NO5S
MOLECULAR WEIGHT: 241.22058
SMILES: CS(=O)(=O)ON1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 48077-95-8
CAS Name: 1-[2-(3,4-dihydronaphthalen-1-yl)ethyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[2-(3,4-dihydronaphthalen-1-yl)ethyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[2-(3,4-dihydronaphthalen-1-yl)ethyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2-(3,4-dihydronaphthalen-1-yl)ethyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: C1CC2=CC=CC=C2C(=C1)CCN3C(=O)CCC3=O
Structure:
CAS RN: 86023-87-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42O5
MOLECULAR WEIGHT: 446.61938
SMILES: CC1CCC2(C(C3C(O2)CC4C3(C(C(=O)C5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1
Structure:
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