CAS RN: 115722-50-4
CAS Name: (8Z)-2-[[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)-2-oxanyl]oxy]-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: (8Z)-2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)tetrahydropyran-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: (8Z)-2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: (8Z)-2-[4,6-dimethyl-5-(methylamino)-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-methoxy-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C24H35N3O6
MOLECULAR WEIGHT: 461.5512
SMILES: CC/C=C\1/CC2C(NC3=C(C=C(C=C3)OC4C(C(C(C(O4)C)NC)(C)O)O)C(=O)N2C1)OC
Structure:
CAS RN: 113702-00-4
CAS Name: 2-[(3E,6Z,9Z,12R,14S)-12-hydroxy-14-[(2R)-2-hydroxyundecyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid
OPENEYE Name: 2-[(3E,6Z,9Z,12R,14S)-12-hydroxy-14-[(2R)-2-hydroxyundecyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid
IUPAC Name: 2-[(3E,6Z,9Z,12R,14S)-12-hydroxy-14-[(2R)-2-hydroxyundecyl]-10-methyl-2-oxo-1-oxacyclotetradeca-3,6,9-trien-4-yl]acetic acid
SYSTEMATIC NAME: 2-[(3E,6Z,9Z,12R,14S)-10-methyl-12-oxidanyl-2-oxidanylidene-14-[(2R)-2-oxidanylundecyl]-1-oxacyclotetradeca-3,6,9-trien-4-yl]ethanoic acid
MOLECULAR FORMULA: C27H44O6
MOLECULAR WEIGHT: 464.63466
SMILES: CCCCCCCCC[C@H](C[C@H]1C[C@@H](C/C(=C\C/C=C\C/C(=C\C(=O)O1)/CC(=O)O)/C)O)O
Structure:
CAS RN: 113303-81-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H65N3O15
MOLECULAR WEIGHT: 936.0515
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C(=O)C3=C4C(=C(C(=C3C2=O)O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)CC(=O)OCC5CCCN(C5)C)C)OC)C)N6CCOCC6)\C
Structure:
CAS RN: 111380-30-4
CAS Name: (Z)-2-butenedioic acid; 1-[3-(dimethylamino)propylamino]-4,5-dimethyl-8-pyrido[4,3-b]indolol
OPENEYE Name: 1-[3-(dimethylamino)propylamino]-4,5-dimethyl-pyrido[4,3-b]indol-8-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-4,5-dimethyl-pyrido[4,3-b]indol-8-ol
MOLECULAR FORMULA: C26H32N4O9
MOLECULAR WEIGHT: 544.55368
SMILES: CC1=CN=C(C2=C1N(C3=C2C=C(C=C3)O)C)NCCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-25-7
CAS Name: (Z)-2-butenedioic acid; 1-[3-(dimethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
OPENEYE Name: 1-[3-(dimethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-[3-(dimethylamino)propylamino]-4-methyl-5H-pyrido[4,3-b]indol-8-ol
MOLECULAR FORMULA: C25H30N4O9
MOLECULAR WEIGHT: 530.5271
SMILES: CC1=CN=C(C2=C1NC3=C2C=C(C=C3)O)NCCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-20-2
CAS Name: (E)-2-butenedioic acid; N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
OPENEYE Name: N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
MOLECULAR FORMULA: C28H36N4O9
MOLECULAR WEIGHT: 572.60684
SMILES: CCN(CCCNC1=NC=C(C2=C1C3=C(N2)C=CC(=C3)OC)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 111380-12-2
CAS Name: (E)-2-butenedioic acid; N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
OPENEYE Name: N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N',N'-diethyl-N-(4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
MOLECULAR FORMULA: C27H34N4O8
MOLECULAR WEIGHT: 542.58086
SMILES: CCN(CCCNC1=NC=C(C2=C1C3=CC=CC=C3N2)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 88465-80-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C80H112N2O37
MOLECULAR WEIGHT: 1693.73648
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2(C)[N+](=O)[O-])OC3C(OC(CC3O)OC4C(C(C5OC6=C7C(=C(C=C6C4(O5)C)O)C(=O)C8=C(C9=C(C=C8C7=O)C(C(CC9OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC1CC(C(C(O1)C)OC(=O)/C=C/C(=O)O)OC)OC)O)OC)(C)O)C(=O)OC)O)O)N(C)C)C)C)OC)O
Structure:
CAS RN: 76023-49-9
CAS Name: (4E,6E,8E,10E,12E,14E,16E)-3-[[4-[(2,5-diamino-1-oxopentyl)amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid meth
OPENEYE Name: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxyl
IUPAC Name: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate
SYSTEMATIC NAME: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-[2,5-bis(azanyl)pentanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene
MOLECULAR FORMULA: C53H85N3O18
MOLECULAR WEIGHT: 1052.2513
SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)NC(=O)C(CCCN)N)O
Structure:
CAS RN: 77031-66-4
CAS Name: (4E,6E,8E,10E,12E,14E,16E)-3-[[4-[(2,5-diamino-1-oxopentyl)amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid meth
OPENEYE Name: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxyl
IUPAC Name: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate
SYSTEMATIC NAME: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-[2,5-bis(azanyl)pentanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene
MOLECULAR FORMULA: C53H85N3O18
MOLECULAR WEIGHT: 1052.2513
SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)NC(=O)C(CCCN)N)O
Structure:
CAS RN: 73047-31-1
CAS Name: 2-[(14E)-9-[[4-(dimethylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
OPENEYE Name: 2-[(14E)-9-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
IUPAC Name: 2-[(14E)-9-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde
SYSTEMATIC NAME: 2-[(14E)-2-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-9-[4-(dimethylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,12,16-trimethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal
MOLECULAR FORMULA: C39H65NO14
MOLECULAR WEIGHT: 771.9317
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3CC(C(C(O3)C)O)N(C)C)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC
Structure:
CAS RN: 37318-06-2
CAS Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-2-hydroxy-6-methyl-2-oxanyl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
OPENEYE Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(1S,2R,3S)-3-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-2-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-t
IUPAC Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SYSTEMATIC NAME: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5-ethyl-6-methyl-4-[(2R,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
MOLECULAR FORMULA: C54H88O18
MOLECULAR WEIGHT: 1025.26572
SMILES: CC[C@H]1[C@@H](C[C@](O[C@@H]1C)(O)[C@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C=C/C=C/[C@@H]([C@H](OC(=O)/C=C/C=C/[C@@H]2C)[C@H]([C@@H](O)[C@@H]([C@@]3(O[C@@H]([C@H]([C@@H](C3)O[C@@H]4O[C@H]([C@H]([C@H](C4)O)O)C)CC)C)O)C)C)C)C)C)O[C@@H]5O[C@H]([C@H]([C@H](C5)O)O)C
Structure:
CAS RN: 11003-23-9
CAS Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-2-hydroxy-6-methyl-2-oxanyl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
OPENEYE Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(1S,2R,3S)-3-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-2-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-t
IUPAC Name: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SYSTEMATIC NAME: (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-5-ethyl-6-methyl-4-[(2R,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
MOLECULAR FORMULA: C54H88O18
MOLECULAR WEIGHT: 1025.26572
SMILES: CC[C@H]1[C@@H](C[C@](O[C@@H]1C)(O)[C@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C=C/C=C/[C@@H]([C@H](OC(=O)/C=C/C=C/[C@@H]2C)[C@H]([C@@H](O)[C@@H]([C@@]3(O[C@@H]([C@H]([C@@H](C3)O[C@@H]4O[C@H]([C@H]([C@H](C4)O)O)C)CC)C)O)C)C)C)C)C)O[C@@H]5O[C@H]([C@H]([C@H](C5)O)O)C
Structure:
CAS RN: 31674-19-8
CAS Name: 3-methylbutanoic acid [6-[[6-[[(11Z,13E)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-(1-oxopropoxy)-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13E)-4-acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-propanoyloxy-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[6-[[(11Z,13E)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-propanoyloxyoxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13E)-4-acetyloxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-propanoyloxy-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: CCC(=O)OC1C(C(C(OC1OC2C(CC(C(/C=C\C=C\CC(OC(=O)CC(C2OC)OC(=O)C)C)O)C)CC=O)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C
Structure:
CAS RN: 25878-32-4
CAS Name: phosphoric acid [(2R,3S,4R,5R)-3-[4-[[(E)-2-chloroethenyl]-methylamino]phenoxy]-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl dimethyl ester
OPENEYE Name: [(2R,3S,4R,5R)-3-[4-[[(E)-2-chlorovinyl]-methyl-amino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dimethyl phosphate
IUPAC Name: [(2R,3S,4R,5R)-3-[4-[[(E)-2-chloroethenyl]-methylamino]phenoxy]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl dimethyl phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[4-[[(E)-2-chloranylethenyl]-methyl-amino]phenoxy]-4-oxidanyl-oxolan-2-yl]methyl dimethyl phosphate
MOLECULAR FORMULA: C20H25ClN3O9P
MOLECULAR WEIGHT: 517.853961
SMILES: CN(/C=C/Cl)C1=CC=C(C=C1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)COP(=O)(OC)OC
Structure:
CAS RN: 12687-98-8
CAS Name: (3E,5E,7E,9E,11E)-14,16,18,20,24,26-hexahydroxy-3-methyl-36-propan-2-yl-1-oxacyclohexatriaconta-3,5,7,9,11-pentaene-2,22,28-trione
OPENEYE Name: (3E,5E,7E,9E,11E)-14,16,18,20,24,26-hexahydroxy-36-isopropyl-3-methyl-1-oxacyclohexatriaconta-3,5,7,9,11-pentaene-2,22,28-trione
IUPAC Name: (3E,5E,7E,9E,11E)-14,16,18,20,24,26-hexahydroxy-3-methyl-36-propan-2-yl-1-oxacyclohexatriaconta-3,5,7,9,11-pentaene-2,22,28-trione
SYSTEMATIC NAME: (3E,5E,7E,9E,11E)-3-methyl-14,16,18,20,24,26-hexakis(oxidanyl)-36-propan-2-yl-1-oxacyclohexatriaconta-3,5,7,9,11-pentaene-2,22,28-trione
MOLECULAR FORMULA: C39H62O10
MOLECULAR WEIGHT: 690.90358
SMILES: C/C/1=C\C=C\C=C\C=C\C=C\CC(CC(CC(CC(CC(=O)CC(CC(CC(=O)CCCCCCCC(OC1=O)C(C)C)O)O)O)O)O)O
Structure:
CAS RN: 11119-54-3
CAS Name: (10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol
OPENEYE Name: (10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol
IUPAC Name: (10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol
SYSTEMATIC NAME: (10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol
MOLECULAR FORMULA: C17H19NOS2
MOLECULAR WEIGHT: 317.46886
SMILES: CN(C)CC/C=C\1/C2=C(SC=C2)SC(C3=CC=CC=C31)O
Structure:
CAS RN: 8074-25-7
CAS Name: magnesium; 2,4-dioxo-1H-pyrimidine-6-carboxylate; 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
OPENEYE Name: magnesium; 2,4-dioxo-1H-pyrimidine-6-carboxylate; 4-methoxy-2-[(E)-styryl]-2,3-dihydropyran-6-one
IUPAC Name: magnesium; 2,4-dioxo-1H-pyrimidine-6-carboxylate; 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: magnesium; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate; 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C24H20MgN4O11
MOLECULAR WEIGHT: 564.7408
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2.C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Mg+2]
Structure:
CAS RN: 8063-52-3
CAS Name: disodium; hexadecyl sulfate; [(Z)-octadec-9-enyl] sulfate
OPENEYE Name: disodium; hexadecyl sulfate; [(Z)-octadec-9-enyl] sulfate
IUPAC Name: disodium; hexadecyl sulfate; [(Z)-octadec-9-enyl] sulfate
SYSTEMATIC NAME: disodium; hexadecyl sulfate; [(Z)-octadec-9-enyl] sulfate
MOLECULAR FORMULA: C34H68Na2O8S2
MOLECULAR WEIGHT: 715.00846
SMILES: CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 7496-62-0
CAS Name: 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
OPENEYE Name: 1-[(E)-2-(2-thienyl)vinyl]pyridin-1-ium bromide
IUPAC Name: 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[(E)-2-thiophen-2-ylethenyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C11H10BrNS
MOLECULAR WEIGHT: 268.1728
SMILES: C1=CC=[N+](C=C1)/C=C/C2=CC=CS2.[Br-]
Structure:
CAS RN: 50570-59-7
CAS Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C28H32Cl2N10O10S2
MOLECULAR WEIGHT: 803.65068
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)N(CCO)CCO)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)N(CCO)CCO)S(=O)(=O)O
Structure:
CAS RN: 4028-32-4
CAS Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[bis(2-hydroxyethyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C28H30Cl2N10Na2O10S2
MOLECULAR WEIGHT: 847.61434
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)N(CCO)CCO)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl)N(CCO)CCO)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 118817-37-1
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 12224-08-7
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 12677-10-0
CAS Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-methoxy-6-phenylazanyl-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C34H28N10Na2O8S2
MOLECULAR WEIGHT: 814.75786
SMILES: COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=CC=C6.[Na+].[Na+]
Structure:
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