Monday, October 31, 2011

http://ChemLookup.com Compounds




CAS RN: 31259-22-0
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester
OPENEYE Name: dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C
Structure:

CAS RN: 60842-96-8
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester
OPENEYE Name: dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C
Structure:

CAS RN: 62494-65-9
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester
OPENEYE Name: dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C
Structure:

CAS RN: 62628-34-6
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester
OPENEYE Name: dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C
Structure:

CAS RN: 73195-46-7
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester
OPENEYE Name: dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C
Structure:

CAS RN: 75923-62-5
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester
OPENEYE Name: dibutyl (Z)-but-2-enedioate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate
MOLECULAR FORMULA: C16H26O6
MOLECULAR WEIGHT: 314.37404
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=O)OC=C
Structure:

CAS RN: 24938-12-3
CAS Name: buta-1,3-diene; (E)-2-butenedioic acid; styrene
OPENEYE Name: buta-1,3-diene; fumaric acid; styrene
IUPAC Name: buta-1,3-diene; (E)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: buta-1,3-diene; (E)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C16H18O4
MOLECULAR WEIGHT: 274.31172
SMILES: C=CC=C.C=CC1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 24871-38-3
CAS Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: barium(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62BaO4
MOLECULAR WEIGHT: 696.20208
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Ba+2]
Structure:

CAS RN: 24695-54-3
CAS Name: (3Z)-1-[2-[(2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl)amino]-2-[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-1-oxoethyl]-3-ethylidene-2-azetidinecarboxylic acid
OPENEYE Name: (3Z)-1-[2-[(2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl)amino]-2-[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]acetyl]-3-ethylidene-azetidine-2-carboxylic acid
IUPAC Name: (3Z)-1-[2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
SYSTEMATIC NAME: (3Z)-1-[2-[[5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoyl]-3-ethylidene-azetidine-2-carboxylic acid
MOLECULAR FORMULA: C23H32N6O13
MOLECULAR WEIGHT: 600.53258
SMILES: C/C=C\1/CN(C1C(=O)O)C(=O)C(C2C(C(C(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C(C(C(COC(=O)N)O)O)N
Structure:

CAS RN: 24663-87-4
CAS Name: 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
OPENEYE Name: 3-[(E)-styryl]-1,2,4-oxadiazole
IUPAC Name: 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C10H8N2O
MOLECULAR WEIGHT: 172.18332
SMILES: C1=CC=C(C=C1)/C=C/C2=NOC=N2
Structure:

CAS RN: 24656-41-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29N3O5
MOLECULAR WEIGHT: 439.50416
SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O
Structure:

CAS RN: 12519-35-6
CAS Name: zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
OPENEYE Name: zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
IUPAC Name: zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: zinc 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C14H18N3O10Zn-3
MOLECULAR WEIGHT: 453.71582
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Zn+2]
Structure:

CAS RN: 23759-24-2
CAS Name: zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
OPENEYE Name: zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
IUPAC Name: zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: zinc 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C14H18N3O10Zn-3
MOLECULAR WEIGHT: 453.71582
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Zn+2]
Structure:

CAS RN: 23498-37-5
CAS Name: (2R)-N-[(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3,9-dihydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-hydroxypropanamide
OPENEYE Name: (2R)-N-[(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3,9-dihydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-hydroxy-propanamide
IUPAC Name: (2R)-N-[(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-3,9-dihydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]-2-hydroxypropanamide
SYSTEMATIC NAME: (2R)-2-oxidanyl-N-[(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-6,12,15,18-tetramethyl-3,9-bis(oxidanyl)-16,19-bis(oxidanylidene)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-14-yl]propanamide
MOLECULAR FORMULA: C25H35NO7
MOLECULAR WEIGHT: 461.5479
SMILES: C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/C([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@@H](C)O)\C)O)\C)O
Structure:

CAS RN: 23498-36-4
CAS Name: acetic acid [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-9-hydroxy-14-[[(2R)-2-hydroxy-1-oxopropyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] ester
OPENEYE Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-9-hydroxy-14-[[(2R)-2-hydroxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] acetate
IUPAC Name: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-9-hydroxy-14-[[(2R)-2-hydroxypropanoyl]amino]-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] acetate
SYSTEMATIC NAME: [(1R,3S,4Z,6Z,9S,10Z,12Z,15S,18R)-6,12,15,18-tetramethyl-9-oxidanyl-16,19-bis(oxidanylidene)-14-[[(2R)-2-oxidanylpropanoyl]amino]-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] ethanoate
MOLECULAR FORMULA: C27H37NO8
MOLECULAR WEIGHT: 503.58458
SMILES: C[C@@H]1[C@H]2C[C@@H](/C=C\C(=C/C[C@@H](/C=C\C(=C/C([C@@](C1=O)(C(=O)O2)C)NC(=O)[C@@H](C)O)\C)O)\C)OC(=O)C
Structure:

CAS RN: 23410-80-2
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester chloride
OPENEYE Name: [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
SYSTEMATIC NAME: [(2R,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate chloride
MOLECULAR FORMULA: C36H37ClO18
MOLECULAR WEIGHT: 793.12118
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O.[Cl-]
Structure:

CAS RN: 23335-74-2
CAS Name: iron(3+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: ferric; (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: iron(3+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: iron(3+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C54H99FeO6
MOLECULAR WEIGHT: 900.20526
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Fe+3]
Structure:

CAS RN: 23250-73-9
CAS Name: manganese(2+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: manganous; (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: manganese(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: manganese(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C36H66MnO4
MOLECULAR WEIGHT: 617.844889
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Mn+2]
Structure:

CAS RN: 6832-69-5
CAS Name: manganese(2+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: manganous; (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: manganese(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: manganese(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C36H66MnO4
MOLECULAR WEIGHT: 617.844889
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Mn+2]
Structure:

CAS RN: 102279-15-2
CAS Name: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethyl-2-benzo[e]indol-3-iumyl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
OPENEYE Name: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
IUPAC Name: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
SYSTEMATIC NAME: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
MOLECULAR FORMULA: C37H37ClN2O4
MOLECULAR WEIGHT: 609.15368
SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/C=C/4\C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 91372-10-0
CAS Name: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethyl-2-benzo[e]indol-3-iumyl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
OPENEYE Name: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
IUPAC Name: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
SYSTEMATIC NAME: (2E)-1,1,3-trimethyl-2-[(2E,4E,6E)-7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
MOLECULAR FORMULA: C37H37ClN2O4
MOLECULAR WEIGHT: 609.15368
SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/C=C/4\C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 23178-20-3
CAS Name: 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid
OPENEYE Name: 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid
IUPAC Name: 2-[[(E)-3-(carboxymethylimino)prop-1-enyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(E)-3-(2-hydroxy-2-oxoethylimino)prop-1-enyl]amino]ethanoic acid
MOLECULAR FORMULA: C7H10N2O4
MOLECULAR WEIGHT: 186.1653
SMILES: C(C(=O)O)N/C=C/C=NCC(=O)O
Structure:

CAS RN: 23116-76-9
CAS Name: 1-[5-[1-[(2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl)amino]-2-[(3Z)-2-carboxy-3-ethylidene-1-azetidinyl]-2-oxoethyl]-3,4-dihydroxy-2-oxolanyl]-2,4-dioxo-5-pyrimidinecarboxylic acid
OPENEYE Name: 1-[5-[1-[(2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl)amino]-2-[(3Z)-2-carboxy-3-ethylidene-azetidin-1-yl]-2-oxo-ethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carboxylic acid
IUPAC Name: 1-[5-[1-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[(3Z)-2-carboxy-3-ethylideneazetidin-1-yl]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
SYSTEMATIC NAME: 1-[5-[1-[[5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(3Z)-2-carboxy-3-ethylidene-azetidin-1-yl]-2-oxidanylidene-ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid
MOLECULAR FORMULA: C23H30N6O15
MOLECULAR WEIGHT: 630.5155
SMILES: C/C=C\1/CN(C1C(=O)O)C(=O)C(C2C(C(C(O2)N3C=C(C(=O)NC3=O)C(=O)O)O)O)NC(=O)C(C(C(COC(=O)N)O)O)N
Structure:

CAS RN: 21178-63-2
CAS Name: chromium(3+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: chromic; (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: chromium(3+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: chromium(3+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C54H99CrO6
MOLECULAR WEIGHT: 896.35636
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cr+3]
Structure:

CAS RN: 20623-13-6
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-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-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltic [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)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)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)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-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-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)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C62H88CoN14O16P
MOLECULAR WEIGHT: 1375.353281
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)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.N(=O)[O-].[Co+3]
Structure:

CAS RN: 20284-29-1
CAS Name: (E)-9-octadecenoic acid [3-[(E)-1-oxooctadec-9-enoxy]-2-[[3-[(Z)-1-oxooctadec-9-enoxy]-2,2-bis[[(E)-1-oxooctadec-9-enoxy]methyl]propoxy]methyl]-2-[[3-[(E)-1-oxooctadec-9-enoxy]-2,2-bis[[(E)-1-oxooctadec-9-enoxy]methyl]propoxy]methyl]propyl] ester
OPENEYE Name: [3-[(E)-octadec-9-enoyl]oxy-2-[[3-[(Z)-octadec-9-enoyl]oxy-2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propoxy]methyl]-2-[[3-[(E)-octadec-9-enoyl]oxy-2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propoxy]methyl]propyl] (E)-octadec-9-enoate
IUPAC Name: [3-[(E)-octadec-9-enoyl]oxy-2-[[3-[(Z)-octadec-9-enoyl]oxy-2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propoxy]methyl]-2-[[3-[(E)-octadec-9-enoyl]oxy-2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propoxy]methyl]propyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [3-[(E)-octadec-9-enoyl]oxy-2-[[3-[(Z)-octadec-9-enoyl]oxy-2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propoxy]methyl]-2-[[3-[(E)-octadec-9-enoyl]oxy-2,2-bis[[(E)-octadec-9-enoyl]oxymethyl]propoxy]methyl]propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C159H288O18
MOLECULAR WEIGHT: 2487.97722
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)(COCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)COCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:

CAS RN: 20206-64-8
CAS Name: 2-aminoethanol; 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 2-aminoethanol; 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 2-aminoethanol; 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 2-azanylethanol; 5-[[4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C44H58N14O12S2
MOLECULAR WEIGHT: 1039.14792
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O.C(CO)N.C(CO)N
Structure:

CAS RN: 20182-56-3
CAS Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[[4-(2-hydroxyethylamino)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C36H32N12Na4O14S4
MOLECULAR WEIGHT: 1076.93036
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:

CAS RN: 20167-05-9
CAS Name: (E)-3-(2-chlorophenyl)-N-[2-[3-(dimethylamino)propylthio]phenyl]-2-propenamide
OPENEYE Name: (E)-3-(2-chlorophenyl)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]prop-2-enamide
IUPAC Name: (E)-3-(2-chlorophenyl)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]prop-2-enamide
MOLECULAR FORMULA: C20H23ClN2OS
MOLECULAR WEIGHT: 374.92742
SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)/C=C/C2=CC=CC=C2Cl
Structure:

No comments:

Post a Comment