CAS RN: 85908-96-9
CAS Name: 2-oxo-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-oxopiperidine-1-carboxylate
IUPAC Name: tert-butyl 2-oxopiperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 2-oxidanylidenepiperidine-1-carboxylate
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(C)(C)OC(=O)N1CCCCC1=O
Structure:
CAS RN: 26993-16-8
CAS Name: 4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzaldehyde
OPENEYE Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzaldehyde
IUPAC Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
SYSTEMATIC NAME: 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxybenzaldehyde
MOLECULAR FORMULA: C13H16O7
MOLECULAR WEIGHT: 284.26194
SMILES: C1=CC(=CC=C1C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 93404-33-2
CAS Name: (E)-4,4,4-trifluoro-3-methyl-2-butenoate
OPENEYE Name: (E)-4,4,4-trifluoro-3-methyl-but-2-enoate
IUPAC Name: (E)-4,4,4-trifluoro-3-methylbut-2-enoate
SYSTEMATIC NAME: (E)-4,4,4-tris(fluoranyl)-3-methyl-but-2-enoate
MOLECULAR FORMULA: C5H4F3O2-
MOLECULAR WEIGHT: 153.07927
SMILES: C/C(=C\C(=O)[O-])/C(F)(F)F
Structure:
CAS RN: 500-12-9
CAS Name: (5S)-5-ethenyl-2-oxazolidinethione
OPENEYE Name: (5S)-5-vinyloxazolidine-2-thione
IUPAC Name: (5S)-5-ethenyl-1,3-oxazolidine-2-thione
SYSTEMATIC NAME: (5S)-5-ethenyl-1,3-oxazolidine-2-thione
MOLECULAR FORMULA: C5H7NOS
MOLECULAR WEIGHT: 129.18018
SMILES: C=C[C@H]1CNC(=S)O1
Structure:
CAS RN: 175205-16-0
CAS Name: (Z)-4-(4-bromo-2-methylanilino)-4-oxo-2-butenoate
OPENEYE Name: (Z)-4-(4-bromo-2-methyl-anilino)-4-oxo-but-2-enoate
IUPAC Name: (Z)-4-(4-bromo-2-methylanilino)-4-oxobut-2-enoate
SYSTEMATIC NAME: (Z)-4-[(4-bromanyl-2-methyl-phenyl)amino]-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C11H9BrNO3-
MOLECULAR WEIGHT: 283.09806
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)/C=C\C(=O)[O-]
Structure:
CAS RN: 19781-33-0
CAS Name: (3R)-3-ethyl-1-phenyl-1-heptyn-3-ol
OPENEYE Name: (3R)-3-ethyl-1-phenyl-hept-1-yn-3-ol
IUPAC Name: (3R)-3-ethyl-1-phenylhept-1-yn-3-ol
SYSTEMATIC NAME: (3R)-3-ethyl-1-phenyl-hept-1-yn-3-ol
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: CCCC[C@](CC)(C#CC1=CC=CC=C1)O
Structure:
CAS RN: 585-88-6
CAS Name: (2S,3R,4S,5R)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexane-1,2,3,5,6-pentol
OPENEYE Name: (2S,3R,4S,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
IUPAC Name: (2S,3R,4S,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
SYSTEMATIC NAME: (2S,3R,4S,5R)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
MOLECULAR FORMULA: C12H24O11
MOLECULAR WEIGHT: 344.31236
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O
Structure:
CAS RN: 114670-74-5
CAS Name: 1-amino-3-(3-fluorophenyl)urea
OPENEYE Name: 1-amino-3-(3-fluorophenyl)urea
IUPAC Name: 1-amino-3-(3-fluorophenyl)urea
SYSTEMATIC NAME: 1-azanyl-3-(3-fluorophenyl)urea
MOLECULAR FORMULA: C7H8FN3O
MOLECULAR WEIGHT: 169.156323
SMILES: C1=CC(=CC(=C1)F)NC(=O)NN
Structure:
CAS RN: 71037-08-6
CAS Name: 2-(butylthio)acetonitrile
OPENEYE Name: 2-butylsulfanylacetonitrile
IUPAC Name: 2-butylsulfanylacetonitrile
SYSTEMATIC NAME: 2-butylsulfanylethanenitrile
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: CCCCSCC#N
Structure:
CAS RN: 88744-04-1
CAS Name: carbonic acid [(1R,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-1-cyclohexa-2,4-dienyl] ester
OPENEYE Name: [(1R,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-cyclohexa-2,4-dien-1-yl] hydrogen carbonate
IUPAC Name: [(1R,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl] hydrogen carbonate
SYSTEMATIC NAME: [(1R,6R)-2,3,4,5,6-pentakis(fluoranyl)-1-(9H-fluoren-9-ylmethyl)cyclohexa-2,4-dien-1-yl] hydrogen carbonate
MOLECULAR FORMULA: C21H13F5O3
MOLECULAR WEIGHT: 408.318136
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C[C@]4([C@H](C(=C(C(=C4F)F)F)F)F)OC(=O)O
Structure:
CAS RN: 88744-04-1
CAS Name: carbonic acid [(1S,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-1-cyclohexa-2,4-dienyl] ester
OPENEYE Name: [(1S,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-cyclohexa-2,4-dien-1-yl] hydrogen carbonate
IUPAC Name: [(1S,6R)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl] hydrogen carbonate
SYSTEMATIC NAME: [(1S,6R)-2,3,4,5,6-pentakis(fluoranyl)-1-(9H-fluoren-9-ylmethyl)cyclohexa-2,4-dien-1-yl] hydrogen carbonate
MOLECULAR FORMULA: C21H13F5O3
MOLECULAR WEIGHT: 408.318136
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C[C@@]4([C@H](C(=C(C(=C4F)F)F)F)F)OC(=O)O
Structure:
CAS RN: 88744-04-1
CAS Name: carbonic acid [(1R,6S)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-1-cyclohexa-2,4-dienyl] ester
OPENEYE Name: [(1R,6S)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-cyclohexa-2,4-dien-1-yl] hydrogen carbonate
IUPAC Name: [(1R,6S)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl] hydrogen carbonate
SYSTEMATIC NAME: [(1R,6S)-2,3,4,5,6-pentakis(fluoranyl)-1-(9H-fluoren-9-ylmethyl)cyclohexa-2,4-dien-1-yl] hydrogen carbonate
MOLECULAR FORMULA: C21H13F5O3
MOLECULAR WEIGHT: 408.318136
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C[C@]4([C@@H](C(=C(C(=C4F)F)F)F)F)OC(=O)O
Structure:
CAS RN: 88744-04-1
CAS Name: carbonic acid [(1S,6S)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-1-cyclohexa-2,4-dienyl] ester
OPENEYE Name: [(1S,6S)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluoro-cyclohexa-2,4-dien-1-yl] hydrogen carbonate
IUPAC Name: [(1S,6S)-1-(9H-fluoren-9-ylmethyl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl] hydrogen carbonate
SYSTEMATIC NAME: [(1S,6S)-2,3,4,5,6-pentakis(fluoranyl)-1-(9H-fluoren-9-ylmethyl)cyclohexa-2,4-dien-1-yl] hydrogen carbonate
MOLECULAR FORMULA: C21H13F5O3
MOLECULAR WEIGHT: 408.318136
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)C[C@@]4([C@@H](C(=C(C(=C4F)F)F)F)F)OC(=O)O
Structure:
CAS RN: 129446-71-5
CAS Name: (2S,4S)-2-amino-4-(phenylmethyl)pentanedioic acid
OPENEYE Name: (2S,4S)-2-amino-4-benzyl-pentanedioic acid
IUPAC Name: (2S,4S)-2-amino-4-benzylpentanedioic acid
SYSTEMATIC NAME: (2S,4S)-2-azanyl-4-(phenylmethyl)pentanedioic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: C1=CC=C(C=C1)C[C@@H](C[C@@H](C(=O)O)N)C(=O)O
Structure:
CAS RN: 63299-27-4
CAS Name: 2-[(1R,2S,5S)-5-methyl-1-[(Z)-10-(6-oxoheptylthio)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
OPENEYE Name: 2-[(1R,2S,5S)-2-isopropyl-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]cyclohexyl]acetate
IUPAC Name: 2-[(1R,2S,5S)-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
SYSTEMATIC NAME: 2-[(1R,2S,5S)-5-methyl-1-[(Z)-10-(6-oxidanylideneheptylsulfanyl)dec-9-enyl]-2-propan-2-yl-cyclohexyl]ethanoate
MOLECULAR FORMULA: C29H51O3S-
MOLECULAR WEIGHT: 479.77844
SMILES: C[C@H]1CC[C@H]([C@@](C1)(CCCCCCCC/C=C\SCCCCCC(=O)C)CC(=O)[O-])C(C)C
Structure:
CAS RN: 63299-27-4
CAS Name: 2-[(1R,2S,5R)-5-methyl-1-[(Z)-10-(6-oxoheptylthio)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
OPENEYE Name: 2-[(1R,2S,5R)-2-isopropyl-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]cyclohexyl]acetate
IUPAC Name: 2-[(1R,2S,5R)-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
SYSTEMATIC NAME: 2-[(1R,2S,5R)-5-methyl-1-[(Z)-10-(6-oxidanylideneheptylsulfanyl)dec-9-enyl]-2-propan-2-yl-cyclohexyl]ethanoate
MOLECULAR FORMULA: C29H51O3S-
MOLECULAR WEIGHT: 479.77844
SMILES: C[C@@H]1CC[C@H]([C@@](C1)(CCCCCCCC/C=C\SCCCCCC(=O)C)CC(=O)[O-])C(C)C
Structure:
CAS RN: 63299-27-4
CAS Name: 2-[(1R,2R,5S)-5-methyl-1-[(Z)-10-(6-oxoheptylthio)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
OPENEYE Name: 2-[(1R,2R,5S)-2-isopropyl-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]cyclohexyl]acetate
IUPAC Name: 2-[(1R,2R,5S)-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
SYSTEMATIC NAME: 2-[(1R,2R,5S)-5-methyl-1-[(Z)-10-(6-oxidanylideneheptylsulfanyl)dec-9-enyl]-2-propan-2-yl-cyclohexyl]ethanoate
MOLECULAR FORMULA: C29H51O3S-
MOLECULAR WEIGHT: 479.77844
SMILES: C[C@H]1CC[C@@H]([C@@](C1)(CCCCCCCC/C=C\SCCCCCC(=O)C)CC(=O)[O-])C(C)C
Structure:
CAS RN: 63299-27-4
CAS Name: 2-[(1R,2R,5R)-5-methyl-1-[(Z)-10-(6-oxoheptylthio)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
OPENEYE Name: 2-[(1R,2R,5R)-2-isopropyl-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]cyclohexyl]acetate
IUPAC Name: 2-[(1R,2R,5R)-5-methyl-1-[(Z)-10-(6-oxoheptylsulfanyl)dec-9-enyl]-2-propan-2-ylcyclohexyl]acetate
SYSTEMATIC NAME: 2-[(1R,2R,5R)-5-methyl-1-[(Z)-10-(6-oxidanylideneheptylsulfanyl)dec-9-enyl]-2-propan-2-yl-cyclohexyl]ethanoate
MOLECULAR FORMULA: C29H51O3S-
MOLECULAR WEIGHT: 479.77844
SMILES: C[C@@H]1CC[C@@H]([C@@](C1)(CCCCCCCC/C=C\SCCCCCC(=O)C)CC(=O)[O-])C(C)C
Structure:
CAS RN: 86123-11-7
CAS Name: (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoate
OPENEYE Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C26H21N2O4-
MOLECULAR WEIGHT: 425.45594
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)[O-]
Structure:
CAS RN: 33178-98-2
CAS Name: (2R)-2-(methylthio)propanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-methylsulfanylpropanoate
IUPAC Name: methyl (2R)-2-methylsulfanylpropanoate
SYSTEMATIC NAME: methyl (2R)-2-methylsulfanylpropanoate
MOLECULAR FORMULA: C5H10O2S
MOLECULAR WEIGHT: 134.1967
SMILES: C[C@H](C(=O)OC)SC
Structure:
CAS RN: 83541-68-8
CAS Name: (2R)-2-propan-2-yl-2-propan-2-yloxybutanedioate
OPENEYE Name: (2R)-2-isopropoxy-2-isopropyl-butanedioate
IUPAC Name: (2R)-2-propan-2-yl-2-propan-2-yloxybutanedioate
SYSTEMATIC NAME: (2R)-2-propan-2-yl-2-propan-2-yloxy-butanedioate
MOLECULAR FORMULA: C10H16O5-2
MOLECULAR WEIGHT: 216.23104
SMILES: CC(C)[C@](CC(=O)[O-])(C(=O)[O-])OC(C)C
Structure:
CAS RN: 83541-68-8
CAS Name: (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioate
OPENEYE Name: (2S)-2-isopropoxy-2-isopropyl-butanedioate
IUPAC Name: (2S)-2-propan-2-yl-2-propan-2-yloxybutanedioate
SYSTEMATIC NAME: (2S)-2-propan-2-yl-2-propan-2-yloxy-butanedioate
MOLECULAR FORMULA: C10H16O5-2
MOLECULAR WEIGHT: 216.23104
SMILES: CC(C)[C@@](CC(=O)[O-])(C(=O)[O-])OC(C)C
Structure:
CAS RN: 10359-64-5
CAS Name: (2R)-2-(methylthio)butane
OPENEYE Name: (2R)-2-methylsulfanylbutane
IUPAC Name: (2R)-2-methylsulfanylbutane
SYSTEMATIC NAME: (2R)-2-methylsulfanylbutane
MOLECULAR FORMULA: C5H12S
MOLECULAR WEIGHT: 104.21378
SMILES: CC[C@@H](C)SC
Structure:
CAS RN: 14250-95-4
CAS Name: (3S)-3-(dimethoxymethyl)heptane
OPENEYE Name: (3S)-3-(dimethoxymethyl)heptane
IUPAC Name: (3S)-3-(dimethoxymethyl)heptane
SYSTEMATIC NAME: (3S)-3-(dimethoxymethyl)heptane
MOLECULAR FORMULA: C10H22O2
MOLECULAR WEIGHT: 174.28048
SMILES: CCCC[C@H](CC)C(OC)OC
Structure:
CAS RN: 138182-21-5
CAS Name: (2S,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(6-chloranyl-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H16ClNO6
MOLECULAR WEIGHT: 329.73294
SMILES: C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 3969-84-4
CAS Name: (1S)-1-[(4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
OPENEYE Name: (1S)-1-[(4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
IUPAC Name: (1S)-1-[(4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SYSTEMATIC NAME: (1S)-1-[(4R,5S)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
MOLECULAR FORMULA: C9H18O6
MOLECULAR WEIGHT: 222.23562
SMILES: CC1(O[C@H]([C@H](O1)[C@H](CO)O)[C@H](CO)O)C
Structure:
CAS RN: 138182-20-4
CAS Name: (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylate
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: (2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[(6-chloranyl-1H-indol-3-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C14H13ClNO7-
MOLECULAR WEIGHT: 342.70852
SMILES: C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O
Structure:
CAS RN: 175205-12-6
CAS Name: 5-(2,3-dichlorophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
OPENEYE Name: 5-(2,3-dichlorophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
IUPAC Name: 5-(2,3-dichlorophenyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SYSTEMATIC NAME: 5-[2,3-bis(chloranyl)phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
MOLECULAR FORMULA: C7H3Cl2N4-
MOLECULAR WEIGHT: 214.03152
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=NN=N[N-]2
Structure:
CAS RN: 175201-51-1
CAS Name: (7S)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
OPENEYE Name: (7S)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC Name: (7S)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: (7S)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C9H10N3O2-
MOLECULAR WEIGHT: 192.1946
SMILES: C[C@H]1C=CN(C2=C(C=NN12)C(=O)[O-])C
Structure:
CAS RN: 175201-51-1
CAS Name: (7R)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
OPENEYE Name: (7R)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
IUPAC Name: (7R)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SYSTEMATIC NAME: (7R)-4,7-dimethyl-7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
MOLECULAR FORMULA: C9H10N3O2-
MOLECULAR WEIGHT: 192.1946
SMILES: C[C@@H]1C=CN(C2=C(C=NN12)C(=O)[O-])C
Structure:
CAS RN: 87371-34-4
CAS Name: (3S)-7-methyl-3-oct-7-en-5-ynol
OPENEYE Name: (3S)-7-methyloct-7-en-5-yn-3-ol
IUPAC Name: (3S)-7-methyloct-7-en-5-yn-3-ol
SYSTEMATIC NAME: (3S)-7-methyloct-7-en-5-yn-3-ol
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC[C@@H](CC#CC(=C)C)O
Structure:
CAS RN: 14966-36-0
CAS Name: acetic acid [(1R)-1,2-dihydroacenaphthylen-1-yl] ester
OPENEYE Name: [(1R)-1,2-dihydroacenaphthylen-1-yl] acetate
IUPAC Name: [(1R)-1,2-dihydroacenaphthylen-1-yl] acetate
SYSTEMATIC NAME: [(1R)-1,2-dihydroacenaphthylen-1-yl] ethanoate
MOLECULAR FORMULA: C14H12O2
MOLECULAR WEIGHT: 212.24388
SMILES: CC(=O)O[C@@H]1CC2=CC=CC3=C2C1=CC=C3
Structure:
CAS RN: 21078-72-8
CAS Name: (3R)-3-methyl-3-nonanol
OPENEYE Name: (3R)-3-methylnonan-3-ol
IUPAC Name: (3R)-3-methylnonan-3-ol
SYSTEMATIC NAME: (3R)-3-methylnonan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCC[C@@](C)(CC)O
Structure:
CAS RN: 18736-82-8
CAS Name: (Z,1S)-1-cyclohexyl-2-buten-1-ol
OPENEYE Name: (Z,1S)-1-cyclohexylbut-2-en-1-ol
IUPAC Name: (Z,1S)-1-cyclohexylbut-2-en-1-ol
SYSTEMATIC NAME: (Z,1S)-1-cyclohexylbut-2-en-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: C/C=C\[C@H](C1CCCCC1)O
Structure:
CAS RN: 18736-82-8
CAS Name: (Z,1R)-1-cyclohexyl-2-buten-1-ol
OPENEYE Name: (Z,1R)-1-cyclohexylbut-2-en-1-ol
IUPAC Name: (Z,1R)-1-cyclohexylbut-2-en-1-ol
SYSTEMATIC NAME: (Z,1R)-1-cyclohexylbut-2-en-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: C/C=C\[C@@H](C1CCCCC1)O
Structure:
CAS RN: 19781-13-6
CAS Name: (4R)-4,7-dimethyl-4-octanol
OPENEYE Name: (4R)-4,7-dimethyloctan-4-ol
IUPAC Name: (4R)-4,7-dimethyloctan-4-ol
SYSTEMATIC NAME: (4R)-4,7-dimethyloctan-4-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCC[C@](C)(CCC(C)C)O
Structure:
CAS RN: 21668-77-9
CAS Name: propane-1,3-disulfonate
OPENEYE Name: propane-1,3-disulfonate
IUPAC Name: propane-1,3-disulfonate
SYSTEMATIC NAME: propane-1,3-disulfonate
MOLECULAR FORMULA: C3H6O6S2-2
MOLECULAR WEIGHT: 202.20614
SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-]
Structure:
CAS RN: 19780-78-0
CAS Name: (2S,4S)-4-ethyl-2-octanol
OPENEYE Name: (2S,4S)-4-ethyloctan-2-ol
IUPAC Name: (2S,4S)-4-ethyloctan-2-ol
SYSTEMATIC NAME: (2S,4S)-4-ethyloctan-2-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCC[C@H](CC)C[C@H](C)O
Structure:
CAS RN: 19780-78-0
CAS Name: (2S,4R)-4-ethyl-2-octanol
OPENEYE Name: (2S,4R)-4-ethyloctan-2-ol
IUPAC Name: (2S,4R)-4-ethyloctan-2-ol
SYSTEMATIC NAME: (2S,4R)-4-ethyloctan-2-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCC[C@@H](CC)C[C@H](C)O
Structure:
CAS RN: 19780-78-0
CAS Name: (2R,4R)-4-ethyl-2-octanol
OPENEYE Name: (2R,4R)-4-ethyloctan-2-ol
IUPAC Name: (2R,4R)-4-ethyloctan-2-ol
SYSTEMATIC NAME: (2R,4R)-4-ethyloctan-2-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCC[C@@H](CC)C[C@@H](C)O
Structure:
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