Monday, October 31, 2011

http://ChemLookup.com Compounds




CAS RN: 9011-53-4
CAS Name: (E)-2,5-dimethyl-2-hexenoate; 2-methyl-2-propenoic acid butyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoate
IUPAC Name: butyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoate
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; (E)-2,5-dimethylhex-2-enoate
MOLECULAR FORMULA: C16H27O4-
MOLECULAR WEIGHT: 283.38318
SMILES: CCCCOC(=O)C(=C)C.CC(C)C/C=C(\C)/C(=O)[O-]
Structure:

CAS RN: 37251-68-6
CAS Name: 2-methyloxirane; (E)-9-octadecenoic acid; oxirane
OPENEYE Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
IUPAC Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
SYSTEMATIC NAME: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
MOLECULAR FORMULA: C23H44O4
MOLECULAR WEIGHT: 384.59306
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O.CC1CO1.C1CO1
Structure:

CAS RN: 63310-17-8
CAS Name: 2-methyloxirane; (E)-9-octadecenoic acid; oxirane
OPENEYE Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
IUPAC Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
SYSTEMATIC NAME: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
MOLECULAR FORMULA: C23H44O4
MOLECULAR WEIGHT: 384.59306
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O.CC1CO1.C1CO1
Structure:

CAS RN: 9009-39-6
CAS Name: 2-methyloxirane; (E)-9-octadecenoic acid; oxirane
OPENEYE Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
IUPAC Name: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
SYSTEMATIC NAME: 2-methyloxirane; (E)-octadec-9-enoic acid; oxirane
MOLECULAR FORMULA: C23H44O4
MOLECULAR WEIGHT: 384.59306
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O.CC1CO1.C1CO1
Structure:

CAS RN: 8059-60-7
CAS Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (Z)-N-carbamoyl-2-ethyl-2-butenamide; 6-ethoxy-1,3-benzothiazole-2-sulfonamide
OPENEYE Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (Z)-N-carbamoyl-2-ethyl-but-2-enamide; 6-ethoxy-1,3-benzothiazole-2-sulfonamide
IUPAC Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (Z)-N-carbamoyl-2-ethylbut-2-enamide; 6-ethoxy-1,3-benzothiazole-2-sulfonamide
SYSTEMATIC NAME: (Z)-N-aminocarbonyl-2-ethyl-but-2-enamide; (6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6-methoxy-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; 6-ethoxy-1,3-benzothiazole-2-sulfonamide
MOLECULAR FORMULA: C38H54N4O9S2
MOLECULAR WEIGHT: 774.98676
SMILES: CC/C(=C/C)/C(=O)NC(=O)N.CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N.CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)OC)C)O
Structure:

CAS RN: 8058-14-8
CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-3-pyrazolone; (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy
OPENEYE Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; (E)-3-(3-hydroxy-4-methoxy-phenyl)-1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]prop-
IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one; (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxym
SYSTEMATIC NAME: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)pyrazol-3-one; (E)-1-[2-methoxy-4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-
MOLECULAR FORMULA: C62H75N5O18
MOLECULAR WEIGHT: 1178.2816
SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C(=C3)OC)C(=O)/C=C/C4=CC(=C(C=C4)OC)O)O)O)O)O)O)O)O.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(C)C
Structure:

CAS RN: 7774-76-7
CAS Name: (Z)-9-octadecenoate; (E)-9-octadecenoate; tin(4+)
OPENEYE Name: stannic; (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: (Z)-octadec-9-enoate; (E)-octadec-9-enoate; tin(4+)
SYSTEMATIC NAME: (Z)-octadec-9-enoate; (E)-octadec-9-enoate; tin(4+)
MOLECULAR FORMULA: C72H132O8Sn
MOLECULAR WEIGHT: 1244.52368
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Sn+4]
Structure:

CAS RN: 7721-14-4
CAS Name: ammonium (9Z,12Z)-octadeca-9,12-dienoate
OPENEYE Name: ammonium (9Z,12Z)-octadeca-9,12-dienoate
IUPAC Name: azanium (9Z,12Z)-octadeca-9,12-dienoate
SYSTEMATIC NAME: azanium (9Z,12Z)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C18H35NO2
MOLECULAR WEIGHT: 297.476
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[NH4+]
Structure:

CAS RN: 6879-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25N2O2+
MOLECULAR WEIGHT: 325.4247
SMILES: C/C=C\1/C[N+]2(CCC34C2CC1C(N3C5=CC=CC=C5C4=O)CO)C
Structure:

CAS RN: 6792-07-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25N2O+
MOLECULAR WEIGHT: 309.4253
SMILES: C/C=C\1/C[N@+]2([C@H]3C[C@H]1[C@@H](C2CC4=C3NC5=CC=CC=C45)CO)C
Structure:

CAS RN: 5989-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: C[C@]1\2CCCC([C@H]3[C@H]1CC[C@H]3/C2=C/CO)(C)C
Structure:

CAS RN: 5634-86-6
CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,8E,11E,14E)-1-oxoeicosa-5,8,11,14-tetraenoxy]propyl] ester
OPENEYE Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy-propyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
IUPAC Name: [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
SYSTEMATIC NAME: [(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy-propyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
MOLECULAR FORMULA: C45H74NO8P
MOLECULAR WEIGHT: 788.044721
SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Structure:

CAS RN: 5591-74-2
CAS Name: 2-amino-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-amino-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methoxy-6-methyl-1,4-benzoquinone
IUPAC Name: 2-amino-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C58H89NO3
MOLECULAR WEIGHT: 848.33216
SMILES: CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
Structure:

CAS RN: 5286-10-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H29NO5
MOLECULAR WEIGHT: 435.51216
SMILES: COC1=C(C=C2C(=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)/C=C\C5=CC2=C(C=C5)O)OC
Structure:

CAS RN: 4742-50-1
CAS Name: 2-[(E)-3-(1,3-diethyl-2H-imidazo[4,5-b]quinoxalin-9-ium-2-yl)prop-2-enylidene]-1,3-diethylimidazo[4,5-b]quinoxaline chloride
OPENEYE Name: 2-[(E)-3-(1,3-diethyl-2H-imidazo[4,5-b]quinoxalin-9-ium-2-yl)prop-2-enylidene]-1,3-diethyl-imidazo[4,5-b]quinoxaline chloride
IUPAC Name: 2-[(E)-3-(1,3-diethyl-2H-imidazo[4,5-b]quinoxalin-9-ium-2-yl)prop-2-enylidene]-1,3-diethylimidazo[4,5-b]quinoxaline chloride
SYSTEMATIC NAME: 2-[(E)-3-(1,3-diethyl-2H-imidazo[4,5-b]quinoxalin-9-ium-2-yl)prop-2-enylidene]-1,3-diethyl-imidazo[4,5-b]quinoxaline chloride
MOLECULAR FORMULA: C29H33ClN8
MOLECULAR WEIGHT: 529.07892
SMILES: CCN1C(N(C2=NC3=CC=CC=C3[NH+]=C21)CC)/C=C/C=C4N(C5=NC6=CC=CC=C6N=C5N4CC)CC.[Cl-]
Structure:

CAS RN: 4626-00-0
CAS Name: [(1S,4S,5R,6R)-6-(hydroxymethyl)-2,5-dimethyl-4-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]-1-cyclohex-2-enyl]methanol
OPENEYE Name: [(1S,4S,5R,6R)-6-(hydroxymethyl)-2,5-dimethyl-4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]cyclohex-2-en-1-yl]methanol
IUPAC Name: [(1S,4S,5R,6R)-6-(hydroxymethyl)-2,5-dimethyl-4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]cyclohex-2-en-1-yl]methanol
SYSTEMATIC NAME: [(1S,4S,5R,6R)-6-(hydroxymethyl)-2,5-dimethyl-4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]cyclohex-2-en-1-yl]methanol
MOLECULAR FORMULA: C40H60O2
MOLECULAR WEIGHT: 572.9032
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/[C@@]2([C@H](C=C([C@H]([C@H]2CO)CO)C)/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)C)/C
Structure:

CAS RN: 4617-99-6
CAS Name: propanoic acid [(11Z,13E)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-10-[[5-(dimethylamino)-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] ester
OPENEYE Name: [(11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[5-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
IUPAC Name: [(11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
SYSTEMATIC NAME: [(11Z,13E)-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
MOLECULAR FORMULA: C39H66N2O12
MOLECULAR WEIGHT: 754.94754
SMILES: CCC(=O)OC1CC(=O)OC(C/C=C/C=C\C(C(CC(C(C1OC)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)OC3CCC(C(O3)C)N(C)C)C
Structure:

CAS RN: 4470-72-8
CAS Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C30H36N10Na2O12S2
MOLECULAR WEIGHT: 838.77618
SMILES: COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 12768-97-7
CAS Name: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H26N8Na2O10S2
MOLECULAR WEIGHT: 816.72738
SMILES: COC1=NC(=NC(=N1)OC2=CC=CC=C2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)OC)OC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 3827-17-6
CAS Name: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H26N8Na2O10S2
MOLECULAR WEIGHT: 816.72738
SMILES: COC1=NC(=NC(=N1)OC2=CC=CC=C2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)OC)OC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 3626-97-9
CAS Name: (Z)-2-chloro-3-(4-nitrophenyl)-2-propenal
OPENEYE Name: (Z)-2-chloro-3-(4-nitrophenyl)prop-2-enal
IUPAC Name: (Z)-2-chloro-3-(4-nitrophenyl)prop-2-enal
SYSTEMATIC NAME: (Z)-2-chloranyl-3-(4-nitrophenyl)prop-2-enal
MOLECULAR FORMULA: C9H6ClNO3
MOLECULAR WEIGHT: 211.60184
SMILES: C1=CC(=CC=C1/C=C(/C=O)\Cl)[N+](=O)[O-]
Structure:

CAS RN: 3343-81-5
CAS Name: (Z)-9-octadecenoic acid
OPENEYE Name: (Z)-octadec-9-enoic acid
IUPAC Name: (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C18H34O2
MOLECULAR WEIGHT: 284.453902
SMILES: CCCCCCCC/C=C\CCCCCCC[14C](=O)O
Structure:

CAS RN: 3230-75-9
CAS Name: (2Z,7E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,7-dien-4-yne-1,6-diol
OPENEYE Name: (2Z,7E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,7-dien-4-yne-1,6-diol
IUPAC Name: (2Z,7E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,7-dien-4-yne-1,6-diol
SYSTEMATIC NAME: (2Z,7E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,7-dien-4-yne-1,6-diol
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC1=C(C(CCC1)(C)C)C/C=C(\C)/C(C#C/C(=C\CO)/C)O
Structure:

CAS RN: 3131-66-6
CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H32O2
MOLECULAR WEIGHT: 282.438022
SMILES: CCCCC/C=C\C/C=C\CCCCCCC[14C](=O)O
Structure:

CAS RN: 15461-22-0
CAS Name: 6-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1,2,4-triazin-3-amine hydrochloride
OPENEYE Name: 6-[(E)-2-(5-nitro-2-furyl)vinyl]-1,2,4-triazin-3-amine hydrochloride
IUPAC Name: 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine hydrochloride
SYSTEMATIC NAME: 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine hydrochloride
MOLECULAR FORMULA: C9H8ClN5O3
MOLECULAR WEIGHT: 269.64452
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=CN=C(N=N2)N.Cl
Structure:

CAS RN: 3012-10-0
CAS Name: 6-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1,2,4-triazin-3-amine hydrochloride
OPENEYE Name: 6-[(E)-2-(5-nitro-2-furyl)vinyl]-1,2,4-triazin-3-amine hydrochloride
IUPAC Name: 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine hydrochloride
SYSTEMATIC NAME: 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-amine hydrochloride
MOLECULAR FORMULA: C9H8ClN5O3
MOLECULAR WEIGHT: 269.64452
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=CN=C(N=N2)N.Cl
Structure:

CAS RN: 2580-82-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H52N4O5
MOLECULAR WEIGHT: 704.89678
SMILES: CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C\C)C)C(=O)OC)OC)C(=O)OC
Structure:

CAS RN: 2498-95-5
CAS Name: disodium 2-[4-[[(E)-2-cyano-3-[4-[methyl(2-sulfonatoethyl)amino]phenyl]-1-oxoprop-2-enyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
OPENEYE Name: disodium 2-[4-[[(E)-2-cyano-3-[4-[methyl(2-sulfonatoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
IUPAC Name: disodium 2-[4-[[(E)-2-cyano-3-[4-[methyl(2-sulfonatoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
SYSTEMATIC NAME: disodium 2-[4-[[(E)-2-cyano-3-[4-[methyl(2-sulfonatoethyl)amino]phenyl]prop-2-enoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
MOLECULAR FORMULA: C27H22N4Na2O7S3
MOLECULAR WEIGHT: 656.66072
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)/C(=C/C4=CC=C(C=C4)N(C)CCS(=O)(=O)[O-])/C#N)S(=O)(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 1899-30-5
CAS Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid
OPENEYE Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-cyclohexanecarboxylic acid
IUPAC Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1S,3R,4R,5R)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C16H18O8
MOLECULAR WEIGHT: 338.30932
SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O
Structure:

CAS RN: 783-14-2
CAS Name: 2-nitro-5-[(E)-2-phenylethenyl]furan
OPENEYE Name: 2-nitro-5-[(E)-styryl]furan
IUPAC Name: 2-nitro-5-[(E)-2-phenylethenyl]furan
SYSTEMATIC NAME: 2-nitro-5-[(E)-2-phenylethenyl]furan
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:

CAS RN: 751-83-7
CAS Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienyl]-triphenylphosphonium sulfate
OPENEYE Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenyl-phosphonium sulfate
IUPAC Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium sulfate
SYSTEMATIC NAME: [(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenyl-phosphanium sulfate
MOLECULAR FORMULA: C33H38O4PS-
MOLECULAR WEIGHT: 561.691181
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C.[O-]S(=O)(=O)[O-]
Structure:

CAS RN: 646-00-4
CAS Name: manganese(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: manganous; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: manganese(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: manganese(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62MnO4
MOLECULAR WEIGHT: 613.813129
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Mn+2]
Structure:

CAS RN: 642-08-0
CAS Name: (Z)-2-methyl-2-butenoic acid [(2R)-3-hydroxy-3-methyl-1-[(7-oxo-4-furo[3,2-g][1]benzopyranyl)oxy]butan-2-yl] ester
OPENEYE Name: [(1R)-2-hydroxy-2-methyl-1-[(7-oxofuro[3,2-g]chromen-4-yl)oxymethyl]propyl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(2R)-3-methyl-3-oxidanyl-1-(7-oxidanylidenefuro[3,2-g]chromen-4-yl)oxy-butan-2-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C21H22O7
MOLECULAR WEIGHT: 386.39518
SMILES: C/C=C(/C)\C(=O)O[C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O
Structure:

CAS RN: 604-87-5
CAS Name: acetic acid [4-acetyloxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1-naphthalenyl] ester
OPENEYE Name: [4-acetoxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1-naphthyl] acetate
IUPAC Name: [4-acetyloxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalen-1-yl] acetate
SYSTEMATIC NAME: [4-acetyloxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalen-1-yl] ethanoate
MOLECULAR FORMULA: C35H52O4
MOLECULAR WEIGHT: 536.78498
SMILES: CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 591-65-1
CAS Name: barium(2+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: barium(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: barium(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: barium(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C36H66BaO4
MOLECULAR WEIGHT: 700.23384
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Ba+2]
Structure:

CAS RN: 131389-62-3
CAS Name: barium(2+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: barium(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: barium(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: barium(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C36H66BaO4
MOLECULAR WEIGHT: 700.23384
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Ba+2]
Structure:

CAS RN: 17660-28-5
CAS Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methyl-1-oxobut-2-enoxy]-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C35H52O6
MOLECULAR WEIGHT: 568.78378
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)C)C(=O)O)(C)C
Structure:

CAS RN: 18530-66-0
CAS Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methyl-1-oxobut-2-enoxy]-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C35H52O6
MOLECULAR WEIGHT: 568.78378
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)C)C(=O)O)(C)C
Structure:

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