CAS RN: 61417-49-0
CAS Name: 16-methylheptadecanoic acid; 2-propanol; titanium
OPENEYE Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
IUPAC Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 16-methylheptadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 62778-78-3
CAS Name: 16-methylheptadecanoic acid; 2-propanol; titanium
OPENEYE Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
IUPAC Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 16-methylheptadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 6646-46-4
CAS Name: butanedioic acid O4-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester O1-[(3S,10R,13S,17R)-17-ethynyl-17-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a
OPENEYE Name: O4-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] O1-[(3S,10R,13S,17R)-17-ethynyl-17-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] buta
IUPAC Name: 4-O-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 1-O-[(3S,10R,13S,17R)-17-ethynyl-17-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] bu
SYSTEMATIC NAME: O4-[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] O1-[(3S,10R,13S,17R)-17-ethynyl-13-methyl-17-oxidanyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren
MOLECULAR FORMULA: C43H58O6
MOLECULAR WEIGHT: 670.91702
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O[C@H]4CC[C@@H]5C6CC[C@]7(C(C6CCC5=C4)CC[C@]7(C#C)O)C)CCC8=CC(=O)CC[C@]38C
Structure:
CAS RN: 6638-19-3
CAS Name: decanoic acid [(2S)-3-hydroxy-2-(1-oxodecoxy)propyl] ester
OPENEYE Name: [(2S)-2-decanoyloxy-3-hydroxy-propyl] decanoate
IUPAC Name: [(2S)-2-decanoyloxy-3-hydroxypropyl] decanoate
SYSTEMATIC NAME: [(2S)-2-decanoyloxy-3-oxidanyl-propyl] decanoate
MOLECULAR FORMULA: C23H44O5
MOLECULAR WEIGHT: 400.59246
SMILES: CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC
Structure:
CAS RN: 6637-41-8
CAS Name: 1,3,5-tribromo-2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]benzene
OPENEYE Name: 1,3,5-tribromo-2-[2-[2,6-dibromo-4-[1-[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]phenyl]-1-methyl-ethyl]phenoxy]ethoxy]benzene
IUPAC Name: 1,3,5-tribromo-2-[2-[2,6-dibromo-4-[2-[3,5-dibromo-4-[2-(2,4,6-tribromophenoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]benzene
SYSTEMATIC NAME: 2-[2-[4-[2-[3,5-bis(bromanyl)-4-[2-[2,4,6-tris(bromanyl)phenoxy]ethoxy]phenyl]propan-2-yl]-2,6-bis(bromanyl)phenoxy]ethoxy]-1,3,5-tris(bromanyl)benzene
MOLECULAR FORMULA: C31H22Br10O4
MOLECULAR WEIGHT: 1257.54398
SMILES: CC(C)(C1=CC(=C(C(=C1)Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)C3=CC(=C(C(=C3)Br)OCCOC4=C(C=C(C=C4Br)Br)Br)Br
Structure:
CAS RN: 60177-21-1
CAS Name: 10-(1-pyrenyl)decanoic acid
OPENEYE Name: 10-pyren-1-yldecanoic acid
IUPAC Name: 10-pyren-1-yldecanoic acid
SYSTEMATIC NAME: 10-pyren-1-yldecanoic acid
MOLECULAR FORMULA: C26H28O2
MOLECULAR WEIGHT: 372.49932
SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCCC(=O)O
Structure:
CAS RN: 6634-24-8
CAS Name: (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
OPENEYE Name: (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC Name: (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SYSTEMATIC NAME: (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
MOLECULAR FORMULA: C7H9N3O2
MOLECULAR WEIGHT: 167.16526
SMILES: C1[C@H](NCC2=C1N=CN2)C(=O)O
Structure:
CAS RN: 6634-13-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H9ClN2O5S2
MOLECULAR WEIGHT: 360.79326
SMILES: CON1[C@@H]2C(=O)NC3(C1=O)[C@H](C4=CC(=C(C=C4O3)O)Cl)SS2
Structure:
CAS RN: 6634-15-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H9ClN2O5S2
MOLECULAR WEIGHT: 360.79326
SMILES: CON1[C@@H]2C(=O)NC3(C1=O)[C@H](C4=CC(=C(C=C4O3)O)Cl)SS2
Structure:
CAS RN: 7451-55-0
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenyl-1-pyrrolidinyl)-1-butanone hydrochloride
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
MOLECULAR FORMULA: C22H26ClNO3
MOLECULAR WEIGHT: 387.89974
SMILES: C1CN(CC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.Cl
Structure:
CAS RN: 7451-60-7
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenyl-1-pyrrolidinyl)-1-butanone hydrochloride
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
MOLECULAR FORMULA: C22H26ClNO3
MOLECULAR WEIGHT: 387.89974
SMILES: C1CN(CC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.Cl
Structure:
CAS RN: 59939-57-0
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenyl-1-pyrrolidinyl)-1-butanone hydrochloride
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-phenylpyrrolidin-1-yl)butan-1-one hydrochloride
MOLECULAR FORMULA: C22H26ClNO3
MOLECULAR WEIGHT: 387.89974
SMILES: C1CN(CC1C2=CC=CC=C2)CCCC(=O)C3=CC4=C(C=C3)OCCO4.Cl
Structure:
CAS RN: 59894-00-7
CAS Name: 2-(hydroxymethyl)-6-[(4-nitroanilino)azomethyl]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[(4-nitroanilino)azomethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-[[(4-nitroanilino)diazenyl]methyl]oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[[[(4-nitrophenyl)amino]diazenyl]methyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H18N4O7
MOLECULAR WEIGHT: 342.30462
SMILES: C1=CC(=CC=C1NN=NCC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]
Structure:
CAS RN: 6632-94-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15ClN2O2
MOLECULAR WEIGHT: 302.7555
SMILES: CC1=C[C@@]2([C@@H](CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
Structure:
CAS RN: 6632-95-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15ClN2O2
MOLECULAR WEIGHT: 302.7555
SMILES: CC1=C[C@@]2([C@@H](CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
Structure:
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