CAS RN: 72319-18-7
CAS Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile sulfate
OPENEYE Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile sulfate
IUPAC Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate
SYSTEMATIC NAME: 3-[methyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile sulfate
MOLECULAR FORMULA: C23H26N3O4S-
MOLECULAR WEIGHT: 440.53524
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 72269-63-7
CAS Name: (2E)-3-ethyl-2-[(E,4Z)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]but-2-enylidene]-1,3-benzoxazole-5-sulfonic acid
OPENEYE Name: (2E)-3-ethyl-2-[(E,4Z)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-5-sulfonic acid
IUPAC Name: (2E)-3-ethyl-2-[(E,4Z)-4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-5-sulfonic acid
SYSTEMATIC NAME: (2E)-3-ethyl-2-[(E,4Z)-4-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-enylidene]-1,3-benzoxazole-5-sulfonic acid
MOLECULAR FORMULA: C23H21N3O8S2
MOLECULAR WEIGHT: 531.55814
SMILES: CCN\1C2=C(C=CC(=C2)S(=O)(=O)O)O/C1=C/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C
Structure:
CAS RN: 72252-60-9
CAS Name: tetrasodium 2-[2-methyl-4-[[(E)-4-[3-methyl-4-[2-sulfonato-4-(4-sulfonatophenyl)azophenyl]azoanilino]-1,4-dioxobut-2-enyl]amino]phenyl]azo-5-(4-sulfonatophenyl)azobenzenesulfonate
OPENEYE Name: tetrasodium 2-[2-methyl-4-[[(E)-4-[3-methyl-4-[2-sulfonato-4-(4-sulfonatophenyl)azo-phenyl]azo-anilino]-4-oxo-but-2-enoyl]amino]phenyl]azo-5-(4-sulfonatophenyl)azo-benzenesulfonate
IUPAC Name: tetrasodium 2-[[2-methyl-4-[[(E)-4-[3-methyl-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]anilino]-4-oxobut-2-enoyl]amino]phenyl]diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 2-[[2-methyl-4-[[(E)-4-[[3-methyl-4-[[2-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]amino]-4-oxidanylidene-but-2-enoyl]amino]phenyl]diazenyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate
MOLECULAR FORMULA: C42H30N10Na4O14S4
MOLECULAR WEIGHT: 1118.96528
SMILES: CC1=C(C=CC(=C1)NC(=O)/C=C/C(=O)NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=C(C=C(C=C5)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 40244-29-9
CAS Name: (E)-3-(2,6,6-trimethyl-1-cyclohexenyl)-2-propenenitrile
OPENEYE Name: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile
IUPAC Name: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C#N
Structure:
CAS RN: 72214-33-6
CAS Name: (E)-3-(2,6,6-trimethyl-1-cyclohexenyl)-2-propenenitrile
OPENEYE Name: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile
IUPAC Name: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C12H17N
MOLECULAR WEIGHT: 175.27008
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C#N
Structure:
CAS RN: 72117-72-7
CAS Name: (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)-1-penten-3-one
OPENEYE Name: (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
IUPAC Name: (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CCC(=O)/C(=C/C1C(=CCCC1(C)C)C)/C
Structure:
CAS RN: 72050-94-3
CAS Name: (2S)-4-amino-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-4-amino-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C46H90N4O3
MOLECULAR WEIGHT: 747.2318
SMILES: CCCCCCCC/C=C/CCCCCCCCNCCCN(CCCNCCCCCCCC/C=C\CCCCCCCC)[C@@H](CC(=O)N)C(=O)O
Structure:
CAS RN: 90604-15-2
CAS Name: (2S)-4-amino-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-4-amino-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[3-[[(Z)-octadec-9-enyl]amino]propyl-[3-[[(E)-octadec-9-enyl]amino]propyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C46H90N4O3
MOLECULAR WEIGHT: 747.2318
SMILES: CCCCCCCC/C=C/CCCCCCCCNCCCN(CCCNCCCCCCCC/C=C\CCCCCCCC)[C@@H](CC(=O)N)C(=O)O
Structure:
CAS RN: 71873-57-9
CAS Name: 3-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]-N-methylanilino]propanenitrile; methyl sulfate
OPENEYE Name: 3-[4-[(E)-2-(5-chloro-1,3,3-trimethyl-indol-1-ium-2-yl)vinyl]-N-methyl-anilino]propanenitrile; methyl sulfate
IUPAC Name: 3-[4-[(E)-2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]propanenitrile; methyl sulfate
SYSTEMATIC NAME: 3-[[4-[(E)-2-(5-chloranyl-1,3,3-trimethyl-indol-1-ium-2-yl)ethenyl]phenyl]-methyl-amino]propanenitrile; methyl sulfate
MOLECULAR FORMULA: C24H28ClN3O4S
MOLECULAR WEIGHT: 490.01482
SMILES: CC1(C2=C(C=CC(=C2)Cl)[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.COS(=O)(=O)[O-]
Structure:
CAS RN: 71873-49-9
CAS Name: tetrasodium 4-[4-[[[4-[(E)-2-[4-[[4-(4-carboxylatophenyl)azophenyl]imino-oxidoammonio]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-oxidoiminio]amino]phenyl]azobenzoate
OPENEYE Name: tetrasodium 4-[4-[[[4-[(E)-2-[4-[[4-(4-carboxylatophenyl)azophenyl]imino-oxido-ammonio]-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]-oxido-iminio]amino]phenyl]azobenzoate
IUPAC Name: tetrasodium 4-[[4-[[[4-[(E)-2-[4-[[4-[(4-carboxylatophenyl)diazenyl]phenyl]imino-oxidoazaniumyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]-oxidoazaniumylidene]amino]phenyl]diazenyl]benzoate
SYSTEMATIC NAME: tetrasodium 4-[[4-[[[4-[(E)-2-[4-[[4-[(4-carboxylatophenyl)diazenyl]phenyl]imino-oxidanidyl-azaniumyl]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]-oxidanidyl-azaniumylidene]amino]phenyl]diazenyl]benzoate
MOLECULAR FORMULA: C40H24N8Na4O12S2
MOLECULAR WEIGHT: 964.75404
SMILES: C1=CC(=CC=C1C(=O)[O-])N=NC2=CC=C(C=C2)N=[N+](C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)[N+](=NC5=CC=C(C=C5)N=NC6=CC=C(C=C6)C(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 71873-44-4
CAS Name: trisodium 1-amino-4-[4-[[(E)-4-[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-2-sulfonatoanilino]-1,4-dioxobut-2-enyl]amino]anilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: trisodium 1-amino-4-[4-[[(E)-4-[4-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2-sulfonato-anilino]-4-oxo-but-2-enoyl]amino]anilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: trisodium 1-amino-4-[4-[[(E)-4-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-4-oxobut-2-enoyl]amino]anilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: trisodium 1-azanyl-4-[[4-[[(E)-4-[[4-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-2-sulfonato-phenyl]amino]-4-oxidanylidene-but-2-enoyl]amino]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C44H27N6Na3O15S3
MOLECULAR WEIGHT: 1044.88069
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)NC(=O)/C=C/C(=O)NC5=C(C=C(C=C5)NC6=CC(=C(C7=C6C(=O)C8=CC=CC=C8C7=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
Structure:
CAS RN: 71603-41-3
CAS Name: (1R,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5,5-difluoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (1R,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(1R)-4,4-difluoro-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (1R,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5,5-difluoro-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1R,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H42F2O2
MOLECULAR WEIGHT: 436.617986
SMILES: C[C@H](CCC(C(C)(C)O)(F)F)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 71566-42-2
CAS Name: tetrasodium 2-[4-[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]azophenyl]benzo[e]benzotriazole-6,8-disulfonate
OPENEYE Name: tetrasodium 2-[4-[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]-3-sulfonato-phenyl]azophenyl]benzo[e]benzotriazole-6,8-disulfonate
IUPAC Name: tetrasodium 2-[4-[[4-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]diazenyl]phenyl]benzo[e]benzotriazole-6,8-disulfonate
SYSTEMATIC NAME: tetrasodium 2-[4-[[4-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]-3-sulfonato-phenyl]diazenyl]phenyl]benzo[e]benzotriazole-6,8-disulfonate
MOLECULAR FORMULA: C30H16N6Na4O14S4
MOLECULAR WEIGHT: 904.69892
SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N4N=C5C=CC6=C(C=C(C=C6C5=N4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 71550-24-8
CAS Name: 2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]-1-oxoprop-2-enoxy]ethyl-trimethylammonium chloride
OPENEYE Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyano-prop-2-enoyl]oxyethyl-trimethyl-ammonium chloride
IUPAC Name: 2-[(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enoyl]oxyethyl-trimethylazanium chloride
SYSTEMATIC NAME: 2-[(E)-2-cyano-3-[4-[ethyl-(phenylmethyl)amino]phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium chloride
MOLECULAR FORMULA: C24H30ClN3O2
MOLECULAR WEIGHT: 427.9669
SMILES: CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC[N+](C)(C)C.[Cl-]
Structure:
CAS RN: 70236-45-2
CAS Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile; zinc; trihydrochloride
OPENEYE Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile; zinc; trihydrochloride
IUPAC Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile; zinc; trihydrochloride
SYSTEMATIC NAME: 3-[methyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile; zinc; trihydrochloride
MOLECULAR FORMULA: C23H29Cl3N3Zn+
MOLECULAR WEIGHT: 519.26446
SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCC#N)C)C.Cl.Cl.Cl.[Zn]
Structure:
CAS RN: 69774-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H33NO9
MOLECULAR WEIGHT: 503.54152
SMILES: C[C@H]1[C@@H]2C(=O)C[C@]3([C@@](O2)([C@H]([C@H](O3)C)C(=O)OC)O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=O)C4=C(NCC4=O)O)C
Structure:
CAS RN: 69774-86-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H35NO9
MOLECULAR WEIGHT: 517.5681
SMILES: C[C@H]1[C@@H]2C(=O)C[C@]3([C@@](O2)([C@H]([C@H](O3)C)C(=O)OC)O[C@@H]1[C@H](C)/C=C(\C)/C=C/C(=O)C4=C(N(CC4=O)C)O)C
Structure:
CAS RN: 114456-70-1
CAS Name: 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
OPENEYE Name: 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]-3-sulfo-anilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
IUPAC Name: 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
SYSTEMATIC NAME: 2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonic acid
MOLECULAR FORMULA: C40H44N12O22S6
MOLECULAR WEIGHT: 1237.23456
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 68971-49-3
CAS Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
OPENEYE Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
IUPAC Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
SYSTEMATIC NAME: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
MOLECULAR FORMULA: C40H38N12Na6O22S6
MOLECULAR WEIGHT: 1369.12554
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 76482-78-5
CAS Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
OPENEYE Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
IUPAC Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
SYSTEMATIC NAME: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
MOLECULAR FORMULA: C40H38N12Na6O22S6
MOLECULAR WEIGHT: 1369.12554
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 81604-39-9
CAS Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
OPENEYE Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
IUPAC Name: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
SYSTEMATIC NAME: hexasodium 2-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
MOLECULAR FORMULA: C40H38N12Na6O22S6
MOLECULAR WEIGHT: 1369.12554
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 68966-40-5
CAS Name: octadecanoic acid [2,2-bis[[(E)-1-oxooctadec-9-enoxy]methyl]-3-(1-oxooctadecoxy)propyl] ester
OPENEYE Name: [2-(octadecanoyloxymethyl)-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] octadecanoate
IUPAC Name: [2-(octadecanoyloxymethyl)-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] octadecanoate
SYSTEMATIC NAME: [2-(octadecanoyloxymethyl)-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propyl] octadecanoate
MOLECULAR FORMULA: C77H144O8
MOLECULAR WEIGHT: 1197.96246
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 11076-50-9
CAS Name: (4E,6E,8E,10E,16E)-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-12-ethyl-19,21,23,25-tetrahydroxy-13-methyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid
OPENEYE Name: (4E,6E,8E,10E,16E)-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-12-ethyl-19,21,23,25-tetrahydroxy-13-methyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid
IUPAC Name: (4E,6E,8E,10E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-12-ethyl-19,21,23,25-tetrahydroxy-13-methyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid
SYSTEMATIC NAME: (4E,6E,8E,10E,16E)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-12-ethyl-13-methyl-19,21,23,25-tetrakis(oxidanyl)-15-oxidanylidene-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid
MOLECULAR FORMULA: C35H53NO13
MOLECULAR WEIGHT: 695.79422
SMILES: CCC1/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C/C=C/C(=O)OC1C)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
Structure:
CAS RN: 11040-28-1
CAS Name: (3S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,5S,9R,10S,13R,14R,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4C)O)C)C)\C(C)C
Structure:
CAS RN: 11006-31-8
CAS Name: (13E,17E,21E,29Z)-48-(8-aminooctan-2-yl)-8,10,16,20,24,26,28,32,36,38,40,42,44,46-tetradecahydroxy-9,15,17,19,21,25,31,33,39,41,47-undecamethyl-23-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-oxacyclooctatetraconta-13,17,21,29-tet
OPENEYE Name: (13E,17E,21E,29Z)-48-(7-amino-1-methyl-heptyl)-8,10,16,20,24,26,28,32,36,38,40,42,44,46-tetradecahydroxy-9,15,17,19,21,25,31,33,39,41,47-undecamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-oxacyclooctatetraconta-
IUPAC Name: (13E,17E,21E,29Z)-48-(8-aminooctan-2-yl)-8,10,16,20,24,26,28,32,36,38,40,42,44,46-tetradecahydroxy-9,15,17,19,21,25,31,33,39,41,47-undecamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetra
SYSTEMATIC NAME: (13E,17E,21E,29Z)-48-(8-azanyloctan-2-yl)-23-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-9,15,17,19,21,25,31,33,39,41,47-undecamethyl-8,10,16,20,24,26,28,32,36,38,40,42,44,46-tetradecakis(oxidanyl)-1-oxacyclooctatetraconta-13,17,
MOLECULAR FORMULA: C72H133NO22
MOLECULAR WEIGHT: 1364.81992
SMILES: CC1CCC(CC(C(C(C(C(CC(CC(C(C(OC(=O)CCCCCC(C(C(CC/C=C/C(C(/C(=C/C(C(/C(=C/C(C(C(C(CC(/C=C\C(C1O)C)O)O)C)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)O)C)/C)O)C)O)C)O)C(C)CCCCCCN)C)O)O)O)C)O)C)O)O
Structure:
CAS RN: 10505-41-6
CAS Name: (5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-2-thiazolidinylidene)ethylidene]-2-sulfanylidene-4-oxazolidinone
OPENEYE Name: (5E)-3-ethyl-5-[(2Z)-2-(3-ethylthiazolidin-2-ylidene)ethylidene]-2-thioxo-oxazolidin-4-one
IUPAC Name: (5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
SYSTEMATIC NAME: (5E)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
MOLECULAR FORMULA: C12H16N2O2S2
MOLECULAR WEIGHT: 284.39764
SMILES: CCN\1CCS/C1=C\C=C\2/C(=O)N(C(=S)O2)CC
Structure:
CAS RN: 10311-82-7
CAS Name: (Z)-9-octadecenoic acid (3-chloro-2-hydroxypropyl) ester
OPENEYE Name: (3-chloro-2-hydroxy-propyl) (Z)-octadec-9-enoate
IUPAC Name: (3-chloro-2-hydroxypropyl) (Z)-octadec-9-enoate
SYSTEMATIC NAME: (3-chloranyl-2-oxidanyl-propyl) (Z)-octadec-9-enoate
MOLECULAR FORMULA: C21H39ClO3
MOLECULAR WEIGHT: 374.98556
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CCl)O
Structure:
CAS RN: 10120-63-5
CAS Name: (3E)-3-(2-chloro-10-oxo-9-thioxanthenylidene)-N,N-dimethyl-1-propanamine
OPENEYE Name: (3E)-3-(2-chloro-10-oxo-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine
IUPAC Name: (3E)-3-(2-chloro-10-oxothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (3E)-3-(2-chloranyl-10-oxidanylidene-thioxanthen-9-ylidene)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C18H18ClNOS
MOLECULAR WEIGHT: 331.85962
SMILES: CN(C)CC/C=C/1\C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
Structure:
CAS RN: 10103-17-0
CAS Name: N,N-diethylethanamine; (Z)-9-octadecenoic acid
OPENEYE Name: N,N-diethylethanamine; (Z)-octadec-9-enoic acid
IUPAC Name: N,N-diethylethanamine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: N,N-diethylethanamine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C24H49NO2
MOLECULAR WEIGHT: 383.65136
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCN(CC)CC
Structure:
CAS RN: 10035-29-7
CAS Name: (2Z,4Z,6Z,8Z)-4,8,13,17-tetramethyl-11-oxabicyclo[11.4.0]heptadeca-1(17),2,4,6,8-pentaen-10-one
OPENEYE Name: (2Z,4Z,6Z,8Z)-4,8,13,17-tetramethyl-11-oxabicyclo[11.4.0]heptadeca-1(17),2,4,6,8-pentaen-10-one
IUPAC Name: (2Z,4Z,6Z,8Z)-4,8,13,17-tetramethyl-11-oxabicyclo[11.4.0]heptadeca-1(17),2,4,6,8-pentaen-10-one
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-4,8,13,17-tetramethyl-11-oxabicyclo[11.4.0]heptadeca-1(17),2,4,6,8-pentaen-10-one
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: CC1=C2/C=C\C(=C/C=C\C(=C/C(=O)OCC2(CCC1)C)\C)\C
Structure:
CAS RN: 35255-32-4
CAS Name: 1-amino-2-propanol; ethane-1,2-diol; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
OPENEYE Name: 1-aminopropan-2-ol; ethylene glycol; 3-[(1Z,3E)-2-methyl-1-[(E)-prop-1-enyl]penta-1,3-dienyl]-4-[(E)-prop-1-enyl]tetrahydrofuran-2,5-dione
IUPAC Name: 1-aminopropan-2-ol; ethane-1,2-diol; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
SYSTEMATIC NAME: 1-azanylpropan-2-ol; ethane-1,2-diol; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
MOLECULAR FORMULA: C21H35NO6
MOLECULAR WEIGHT: 397.5057
SMILES: C/C=C/C1C(C(=O)OC1=O)/C(=C(/C)\C=C\C)/C=C/C.CC(CN)O.C(CO)O
Structure:
CAS RN: 9060-53-1
CAS Name: 1-amino-2-propanol; ethane-1,2-diol; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
OPENEYE Name: 1-aminopropan-2-ol; ethylene glycol; 3-[(1Z,3E)-2-methyl-1-[(E)-prop-1-enyl]penta-1,3-dienyl]-4-[(E)-prop-1-enyl]tetrahydrofuran-2,5-dione
IUPAC Name: 1-aminopropan-2-ol; ethane-1,2-diol; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
SYSTEMATIC NAME: 1-azanylpropan-2-ol; ethane-1,2-diol; 3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
MOLECULAR FORMULA: C21H35NO6
MOLECULAR WEIGHT: 397.5057
SMILES: C/C=C/C1C(C(=O)OC1=O)/C(=C(/C)\C=C\C)/C=C/C.CC(CN)O.C(CO)O
Structure:
CAS RN: 69071-48-3
CAS Name: ethenol; (E)-3-phenyl-2-propenoic acid
OPENEYE Name: ethenol; (E)-3-phenylprop-2-enoic acid
IUPAC Name: ethenol; (E)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: ethenol; (E)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C=CO.C1=CC=C(C=C1)/C=C/C(=O)O
Structure:
CAS RN: 9050-06-0
CAS Name: ethenol; (E)-3-phenyl-2-propenoic acid
OPENEYE Name: ethenol; (E)-3-phenylprop-2-enoic acid
IUPAC Name: ethenol; (E)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: ethenol; (E)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C=CO.C1=CC=C(C=C1)/C=C/C(=O)O
Structure:
CAS RN: 9087-52-9
CAS Name: ethenol; (E)-3-phenyl-2-propenoic acid
OPENEYE Name: ethenol; (E)-3-phenylprop-2-enoic acid
IUPAC Name: ethenol; (E)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: ethenol; (E)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C=CO.C1=CC=C(C=C1)/C=C/C(=O)O
Structure:
CAS RN: 39289-12-8
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:
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