Friday, October 28, 2011

http://ChemLookup.com Compounds




CAS RN: 114507-03-8
CAS Name: (3Z)-1-methyl-3-(phenylmethylene)piperidine hydrochloride
OPENEYE Name: (3Z)-3-benzylidene-1-methyl-piperidine hydrochloride
IUPAC Name: (3Z)-3-benzylidene-1-methylpiperidine hydrochloride
SYSTEMATIC NAME: (3Z)-1-methyl-3-(phenylmethylidene)piperidine hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: CN1CCC/C(=C/C2=CC=CC=C2)/C1.Cl
Structure:

CAS RN: 114507-02-7
CAS Name: (3E)-1-methyl-3-(phenylmethylene)piperidine hydrochloride
OPENEYE Name: (3E)-3-benzylidene-1-methyl-piperidine hydrochloride
IUPAC Name: (3E)-3-benzylidene-1-methylpiperidine hydrochloride
SYSTEMATIC NAME: (3E)-1-methyl-3-(phenylmethylidene)piperidine hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: CN1CCC/C(=C\C2=CC=CC=C2)/C1.Cl
Structure:

CAS RN: 114507-01-6
CAS Name: (3E)-1-methyl-3-(phenylmethylene)piperidine
OPENEYE Name: (3E)-3-benzylidene-1-methyl-piperidine
IUPAC Name: (3E)-3-benzylidene-1-methylpiperidine
SYSTEMATIC NAME: (3E)-1-methyl-3-(phenylmethylidene)piperidine
MOLECULAR FORMULA: C13H17N
MOLECULAR WEIGHT: 187.28078
SMILES: CN1CCC/C(=C\C2=CC=CC=C2)/C1
Structure:

CAS RN: 114507-00-5
CAS Name: (3Z)-1-methyl-3-(phenylmethylene)piperidine
OPENEYE Name: (3Z)-3-benzylidene-1-methyl-piperidine
IUPAC Name: (3Z)-3-benzylidene-1-methylpiperidine
SYSTEMATIC NAME: (3Z)-1-methyl-3-(phenylmethylidene)piperidine
MOLECULAR FORMULA: C13H17N
MOLECULAR WEIGHT: 187.28078
SMILES: CN1CCC/C(=C/C2=CC=CC=C2)/C1
Structure:

CAS RN: 114506-95-5
CAS Name: (2E)-N,N-dimethyl-2-(phenylmethylene)-1-cyclohexanamine
OPENEYE Name: (2E)-2-benzylidene-N,N-dimethyl-cyclohexanamine
IUPAC Name: (2E)-2-benzylidene-N,N-dimethylcyclohexan-1-amine
SYSTEMATIC NAME: (2E)-N,N-dimethyl-2-(phenylmethylidene)cyclohexan-1-amine
MOLECULAR FORMULA: C15H21N
MOLECULAR WEIGHT: 215.33394
SMILES: CN(C)C\1CCCC/C1=C\C2=CC=CC=C2
Structure:

CAS RN: 114506-92-2
CAS Name: (2E)-N,N-dimethyl-2-(phenylmethylene)-1-cyclohexanamine hydrochloride
OPENEYE Name: (2E)-2-benzylidene-N,N-dimethyl-cyclohexanamine hydrochloride
IUPAC Name: (2E)-2-benzylidene-N,N-dimethylcyclohexan-1-amine hydrochloride
SYSTEMATIC NAME: (2E)-N,N-dimethyl-2-(phenylmethylidene)cyclohexan-1-amine hydrochloride
MOLECULAR FORMULA: C15H22ClN
MOLECULAR WEIGHT: 251.79488
SMILES: CN(C)C\1CCCC/C1=C\C2=CC=CC=C2.Cl
Structure:

CAS RN: 114506-91-1
CAS Name: (2E)-2-(phenylmethylene)-1-cyclohexanamine hydrochloride
OPENEYE Name: (2E)-2-benzylidenecyclohexanamine hydrochloride
IUPAC Name: (2E)-2-benzylidenecyclohexan-1-amine hydrochloride
SYSTEMATIC NAME: (2E)-2-(phenylmethylidene)cyclohexan-1-amine hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: C1CC/C(=C\C2=CC=CC=C2)/C(C1)N.Cl
Structure:

CAS RN: 114430-09-0
CAS Name: acetic acid [(Z)-2-nitro-3-(3-nitrophenyl)prop-2-enyl] ester
OPENEYE Name: [(Z)-2-nitro-3-(3-nitrophenyl)allyl] acetate
IUPAC Name: [(Z)-2-nitro-3-(3-nitrophenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-2-nitro-3-(3-nitrophenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10N2O6
MOLECULAR WEIGHT: 266.2069
SMILES: CC(=O)OC/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/[N+](=O)[O-]
Structure:

CAS RN: 114430-08-9
CAS Name: acetic acid [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] ester
OPENEYE Name: [(Z)-2-nitro-3-(2-nitrophenyl)allyl] acetate
IUPAC Name: [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-2-nitro-3-(2-nitrophenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10N2O6
MOLECULAR WEIGHT: 266.2069
SMILES: CC(=O)OC/C(=C/C1=CC=CC=C1[N+](=O)[O-])/[N+](=O)[O-]
Structure:

CAS RN: 1154-08-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19NO
MOLECULAR WEIGHT: 265.34956
SMILES: C1C(C2=CC=CC=C2/C(=C\CCN)/C3=CC=CC=C31)O
Structure:

CAS RN: 61498-94-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C57H76N8O15
MOLECULAR WEIGHT: 1113.25794
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
Structure:

CAS RN: 57158-62-0
CAS Name: cobalt(2+); (5Z)-3-ethenyl-5-[[(5Z)-5-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxido-2-pyrrolylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-(3-methoxy-3-oxopropyl)-3-methyl-2-pyrrolyl]methylidene]-4-methyl-2-pyrrololate
OPENEYE Name: cobaltous (5Z)-5-[[(5Z)-4-(3-methoxy-3-oxo-propyl)-5-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(Z)-(4-methyl-5-oxido-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylene]-3-methyl-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-olate
IUPAC Name: cobalt(2+); (5Z)-3-ethenyl-5-[[(5Z)-5-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-(3-methoxy-3-oxopropyl)-3-methylpyrrol-2-yl]methylidene]-4-methylpyrrol-2-olate
SYSTEMATIC NAME: cobalt(2+); (5Z)-3-ethenyl-5-[[(5Z)-5-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanidyl-pyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-pyrrol-2-yl]methylidene]-4-met
MOLECULAR FORMULA: C35H36CoN4O6
MOLECULAR WEIGHT: 667.61674
SMILES: CC1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)[O-])C)C=C)C)CCC(=O)OC)/N=C1/C=C\4/C(=C(C(=N4)[O-])C=C)C)CCC(=O)OC.[Co+2]
Structure:

CAS RN: 56932-60-6
CAS Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-bis(oxidanyl)oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O6
MOLECULAR WEIGHT: 370.48036
SMILES: CC(CCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O)O
Structure:

CAS RN: 39044-48-9
CAS Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19
OPENEYE Name: cobaltic; 2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol; [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl
IUPAC Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octame
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-methanidyl-oxolane-3,4-diol; cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-
MOLECULAR FORMULA: C72H101CoN18O20P2
MOLECULAR WEIGHT: 1659.561662
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.
Structure:

CAS RN: 35050-46-5
CAS Name: 5-[(Z)-[(5E)-5-[[5-[(Z)-(3,4-diethyl-5-oxo-2-pyrrolylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-diethyl-2-pyrrolylidene]methyl]-3,4-diethyl-2-pyrrolone
OPENEYE Name: 5-[(Z)-[(5E)-5-[[5-[(Z)-(3,4-diethyl-5-oxo-pyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methylene]-3,4-diethyl-pyrrol-2-ylidene]methyl]-3,4-diethyl-pyrrol-2-one
IUPAC Name: 5-[(Z)-[(5E)-5-[[5-[(Z)-(3,4-diethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-diethylpyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-2-one
SYSTEMATIC NAME: 5-[(Z)-[(5E)-5-[[5-[(Z)-(3,4-diethyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-diethyl-pyrrol-2-ylidene]methyl]-3,4-diethyl-pyrrol-2-one
MOLECULAR FORMULA: C35H46N4O2
MOLECULAR WEIGHT: 554.76534
SMILES: CCC\1=C(/C(=C/C2=NC(=O)C(=C2CC)CC)/N/C1=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(=O)N4)CC)CC)CC)CC)CC
Structure:

CAS RN: 34324-89-5
CAS Name: N-[(E,3R)-3-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]hexadecanamide
OPENEYE Name: N-[(E,2R)-2-hydroxy-1-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]hexadecanamide
IUPAC Name: N-[(E,3R)-3-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]hexadecanamide
SYSTEMATIC NAME: N-[(E,3R)-1-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]hexadecanamide
MOLECULAR FORMULA: C40H77NO8
MOLECULAR WEIGHT: 700.04128
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
Structure:

CAS RN: 34069-62-0
CAS Name: (Z)-5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(8-hydroxy-3-oxooctyl)cyclopentyl]-3-pentenoic acid
OPENEYE Name: (Z)-5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(8-hydroxy-3-oxo-octyl)cyclopentyl]pent-3-enoic acid
IUPAC Name: (Z)-5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(8-hydroxy-3-oxooctyl)cyclopentyl]pent-3-enoic acid
SYSTEMATIC NAME: (Z)-5-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(8-oxidanyl-3-oxidanylidene-octyl)cyclopentyl]pent-3-enoic acid
MOLECULAR FORMULA: C18H30O6
MOLECULAR WEIGHT: 342.4272
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CC(=O)O)CCC(=O)CCCCCO)O
Structure:

CAS RN: 28368-06-1
CAS Name: (E)-4-[(1R,5R)-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,6,6-trimethyl-1-cyclohex-3-enyl]-2-methyl-2-buten-1-ol
OPENEYE Name: (E)-4-[(1R,5R)-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,5R)-5-[(E)-4-hydroxy-3-methyl-but-2-enyl]-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,6,6-trimethyl-cyclohex-3-en-1-yl]-2-methyl-but-2-en-1
IUPAC Name: (E)-4-[(1R,5R)-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-4,6,6-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-ol
SYSTEMATIC NAME: (E)-2-methyl-4-[(1R,5R)-4,6,6-trimethyl-5-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,5R)-2,6,6-trimethyl-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]but-2-en-1-ol
MOLECULAR FORMULA: C50H72O2
MOLECULAR WEIGHT: 705.10548
SMILES: CC1=CC[C@@H](C([C@@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]2C([C@H](CC=C2C)C/C=C(/CO)\C)(C)C)\C)\C)/C)/C)(C)C)C/C=C(/CO)\C
Structure:

CAS RN: 26198-80-1
CAS Name: (Z)-9-[(2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-7-nonenoic acid
OPENEYE Name: (Z)-9-[(2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]non-7-enoic acid
IUPAC Name: (Z)-9-[(2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]non-7-enoic acid
SYSTEMATIC NAME: (Z)-9-[(2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]non-7-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)C1C/C=C\CCCCCC(=O)O)O)O
Structure:

CAS RN: 25631-39-4
CAS Name: (1R,3Z,4R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-1-cyclohexanol
OPENEYE Name: (1R,3Z,4R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexanol
IUPAC Name: (1R,3Z,4R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z,4R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexan-1-ol
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: C[C@@H]\1CC[C@H](C/C1=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O
Structure:

CAS RN: 18344-42-8
CAS Name: (2Z,4E,6Z,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4E,6Z,8E)-9-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4E,6Z,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CC1=C(C(CCC1O)(C)C)/C=C/C(=C\C=C\C(=C/C=O)\C)/C
Structure:

CAS RN: 17574-05-9
CAS Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5S,6S)-6-[(E,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[(E,3R)-2-amino-3-hydroxy-octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[(E,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5S,6S)-6-[(E,3R)-2-azanyl-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C30H57NO12
MOLECULAR WEIGHT: 623.77308
SMILES: CCCCCCCCCCCCC/C=C/[C@H](C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)N)O
Structure:

CAS RN: 17567-74-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H42FeN6O6
MOLECULAR WEIGHT: 794.67518
SMILES: [H+].[H+].CC\1=C(C/2=N/C1=C\C3=C(C(=C([N-]3)OC4(C(=C(/C(=C/C5=N/C(=C2)/C(=C5C)CCC(=O)[O-])/[N-]4)C=C)C)O)C=C)C)CCC(=O)[O-].C1=CC=NC=C1.C1=CC=NC=C1.[Fe+2]
Structure:

CAS RN: 6538-79-0
CAS Name: 2-amino-7-[(Z)-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)methyl]-1,5-dihydropteridine-4,6-dione
OPENEYE Name: 2-amino-7-[(Z)-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)methyl]-1,5-dihydropteridine-4,6-dione
IUPAC Name: 2-amino-7-[(Z)-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)methyl]-1,5-dihydropteridine-4,6-dione
SYSTEMATIC NAME: 2-azanyl-7-[(Z)-[2-azanyl-4,6-bis(oxidanylidene)-5,8-dihydro-1H-pteridin-7-ylidene]methyl]-1,5-dihydropteridine-4,6-dione
MOLECULAR FORMULA: C13H10N10O4
MOLECULAR WEIGHT: 370.2831
SMILES: C(=C\1/C(=O)NC2=C(N1)NC(=NC2=O)N)\C3=NC4=C(C(=O)N=C(N4)N)NC3=O
Structure:

CAS RN: 5940-03-4
CAS Name: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethyl-1-cyclohexenyl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethylcyclohexene
OPENEYE Name: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethyl-cyclohexene
IUPAC Name: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethylcyclohexene
SYSTEMATIC NAME: 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-3,7,11,16,20,24-hexamethyl-26-(2,6,6-trimethylcyclohexen-1-yl)hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-1,3,3-trimethyl-cyclohexene
MOLECULAR FORMULA: C50H68
MOLECULAR WEIGHT: 669.07492
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)\C)/C)/C)/C
Structure:

CAS RN: 2197-50-4
CAS Name: (5E,8E)-octadeca-5,8-dienoic acid
OPENEYE Name: (5E,8E)-octadeca-5,8-dienoic acid
IUPAC Name: (5E,8E)-octadeca-5,8-dienoic acid
SYSTEMATIC NAME: (5E,8E)-octadeca-5,8-dienoic acid
MOLECULAR FORMULA: C18H32O2
MOLECULAR WEIGHT: 280.44548
SMILES: CCCCCCCCC/C=C/C/C=C/CCCC(=O)O
Structure:

CAS RN: 177535-01-2
CAS Name: (3S,5R)-3-(2-oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyheneicos-8-enyl]-2-oxolanyl]pentyl]-2-oxolanone
OPENEYE Name: (3S,5R)-3-acetonyl-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyhenicos-8-enyl]tetrahydrofuran-2-yl]pentyl]tetrahydrofuran-2-one
IUPAC Name: (3S,5R)-3-(2-oxopropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-trihydroxyhenicos-8-enyl]oxolan-2-yl]pentyl]oxolan-2-one
SYSTEMATIC NAME: (3S,5R)-3-(2-oxidanylidenepropyl)-5-[5-[(2R,5S)-5-[(Z,1S,4R,5R)-1,4,5-tris(oxidanyl)henicos-8-enyl]oxolan-2-yl]pentyl]oxolan-2-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCCCC/C=C\CC[C@H]([C@@H](CC[C@@H]([C@@H]1CC[C@H](O1)CCCCC[C@@H]2C[C@H](C(=O)O2)CC(=O)C)O)O)O
Structure:

CAS RN: 164454-36-8
CAS Name: 4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydrothiazole
OPENEYE Name: 4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydrothiazole
IUPAC Name: 4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C22H33NOS
MOLECULAR WEIGHT: 359.56852
SMILES: CC1CC1C2=NC(CS2)/C=C/CC/C=C/C=C/CC[C@H](CC=C)OC
Structure:

CAS RN: 160219-89-6
CAS Name: (4Z,17Z,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid
OPENEYE Name: (4Z,17Z,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid
IUPAC Name: (4Z,17Z,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid
SYSTEMATIC NAME: (4Z,17Z,27E)-29-oxidanylhentriaconta-4,17,27-trien-2,20,30-triynoic acid
MOLECULAR FORMULA: C31H44O3
MOLECULAR WEIGHT: 464.67926
SMILES: C#CC(/C=C/CCCCCC#CC/C=C\CCCCCCCCCCC/C=C\C#CC(=O)O)O
Structure:

CAS RN: 160047-56-3
CAS Name: 3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyl-2-oxanyl]-2-hydroxy-5-(4-hydroxyphenyl)-1-methyl-4-pyridinone
OPENEYE Name: 2-hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-5-methyl-6-[(E,3R,5S)-1,3,5-trimethylhept-1-enyl]tetrahydropyran-2-yl]pyridin-4-one
IUPAC Name: 3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-2-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-4-one
SYSTEMATIC NAME: 3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyl-oxan-2-yl]-5-(4-hydroxyphenyl)-1-methyl-2-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C28H39NO4
MOLECULAR WEIGHT: 453.61356
SMILES: CC[C@H](C)C[C@@H](C)/C=C(\C)/[C@H]1[C@@H](CC[C@H](O1)C2=C(N(C=C(C2=O)C3=CC=C(C=C3)O)C)O)C
Structure:

CAS RN: 146436-22-8
CAS Name: (1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethyl-16-bicyclo[13.3.0]octadeca-3,8,12,17-tetraenone
OPENEYE Name: (1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(1S)-2-hydroxy-1-methyl-ethyl]-4,8,12,15-tetramethyl-bicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
IUPAC Name: (1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
SYSTEMATIC NAME: (1R,3Z,5S,8Z,12Z,15S)-4,8,12,15-tetramethyl-5,17-bis(oxidanyl)-18-[(2S)-1-oxidanylpropan-2-yl]bicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
MOLECULAR FORMULA: C25H38O4
MOLECULAR WEIGHT: 402.56682
SMILES: C/C/1=C/CC/C(=C\C[C@]2([C@H](C/C=C(\[C@H](CC1)O)/C)C(=C(C2=O)O)[C@H](C)CO)C)/C
Structure:

CAS RN: 136583-72-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C57H77N3O12
MOLECULAR WEIGHT: 996.23418
SMILES: CC1/C=C/C=C(\C2=NC3=C(O2)C4=C(C5=C(C(=C4OC(=O)C(C)(C)C)C)OC(C5O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C3N6CCN(CC6)CC7=C(C=C(C=C7C)C)C)OC)/C
Structure:

CAS RN: 114448-88-3
CAS Name: acetic acid [(Z)-2-nitro-3-(2-phenylmethoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(Z)-3-(2-benzyloxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-2-nitro-3-(2-phenylmethoxyphenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-2-nitro-3-(2-phenylmethoxyphenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: CC(=O)OC/C(=C/C1=CC=CC=C1OCC2=CC=CC=C2)/[N+](=O)[O-]
Structure:

CAS RN: 114430-18-1
CAS Name: acetic acid [(Z)-3-(4-methyl-3-nitrophenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(4-methyl-3-nitro-phenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(4-methyl-3-nitrophenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(4-methyl-3-nitro-phenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H12N2O6
MOLECULAR WEIGHT: 280.23348
SMILES: CC1=C(C=C(C=C1)/C=C(/COC(=O)C)\[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 114430-17-0
CAS Name: acetic acid [(Z)-3-(4-butoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(4-butoxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(4-butoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(4-butoxyphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: CCCCOC1=CC=C(C=C1)/C=C(/COC(=O)C)\[N+](=O)[O-]
Structure:

CAS RN: 114430-16-9
CAS Name: acetic acid [(Z)-3-(3-butoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(3-butoxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3-butoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3-butoxyphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: CCCCOC1=CC=CC(=C1)/C=C(/COC(=O)C)\[N+](=O)[O-]
Structure:

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