CAS RN: 82189-03-5
CAS Name: (2R)-2-[[cyclohexyl(oxo)methyl]amino]propanoic acid [(4E,6R,7S,8S,10E,12E,14E,16R)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] ester
OPENEYE Name: [(4E,6R,7S,8S,10E,12E,14E,16R)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
IUPAC Name: [(4E,6R,7S,8S,10E,12E,14E,16R)-6-hydroxy-16-methoxy-5,7-dimethyl-18,22,24-trioxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
SYSTEMATIC NAME: [(4E,6R,7S,8S,10E,12E,14E,16R)-16-methoxy-5,7-dimethyl-6-oxidanyl-18,22,24-tris(oxidanylidene)-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaen-8-yl] (2R)-2-(cyclohexylcarbonylamino)propanoate
MOLECULAR FORMULA: C36H48N2O8
MOLECULAR WEIGHT: 636.77492
SMILES: C[C@@H]1[C@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=O)C=C(C2=O)CC/C=C(/[C@@H]1O)\C)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3
Structure:
CAS RN: 81904-15-6
CAS Name: (4E,6S,7S,8R,10E,12E,14E,16R)-6,8-dihydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaene-18,22,24-trione
OPENEYE Name: (4E,6S,7S,8R,10E,12E,14E,16R)-6,8-dihydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaene-18,22,24-trione
IUPAC Name: (4E,6S,7S,8R,10E,12E,14E,16R)-6,8-dihydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaene-18,22,24-trione
SYSTEMATIC NAME: (4E,6S,7S,8R,10E,12E,14E,16R)-16-methoxy-5,7-dimethyl-6,8-bis(oxidanyl)-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20-hexaene-18,22,24-trione
MOLECULAR FORMULA: C26H33NO6
MOLECULAR WEIGHT: 455.54332
SMILES: C[C@H]1[C@@H](C/C=C/C=C/C=C/[C@@H](CC(=O)NC2=CC(=O)C=C(C2=O)CC/C=C(/[C@H]1O)\C)OC)O
Structure:
CAS RN: 76014-78-3
CAS Name: (3Z)-3-(6H-benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethyl-1-propanamine; (E)-2-butenedioic acid
OPENEYE Name: (3Z)-3-(6H-benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethyl-propan-1-amine; fumaric acid
IUPAC Name: (3Z)-3-(6H-[1]benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethylpropan-1-amine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (3Z)-3-(6H-[1]benzofuro[2,3-c][1]benzoxepin-12-ylidene)-N,N-dimethyl-propan-1-amine; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C25H25NO6
MOLECULAR WEIGHT: 435.4691
SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2OCC3=C1C4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 37336-45-1
CAS Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline chloride
OPENEYE Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline chloride
IUPAC Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
MOLECULAR FORMULA: C28H31ClN2O
MOLECULAR WEIGHT: 447.01154
SMILES: CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.[Cl-]
Structure:
CAS RN: 72894-24-7
CAS Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline chloride
OPENEYE Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline chloride
IUPAC Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
MOLECULAR FORMULA: C28H31ClN2O
MOLECULAR WEIGHT: 447.01154
SMILES: CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.[Cl-]
Structure:
CAS RN: 145763-35-5
CAS Name: (1R,2R)-2-hydroxy-2-(2-hydroxyethyl)-5-[(2E,4E,6E,8E)-2,6,8-trimethyl-1-oxo-9-(5-oxo-2H-furan-4-yl)nona-2,4,6,8-tetraenyl]-6-oxa-3-azabicyclo[3.1.0]hexan-4-one
OPENEYE Name: (1R,2R)-2-hydroxy-2-(2-hydroxyethyl)-5-[(2E,4E,6E,8E)-2,6,8-trimethyl-9-(5-oxo-2H-furan-4-yl)nona-2,4,6,8-tetraenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-4-one
IUPAC Name: (1R,2R)-2-hydroxy-2-(2-hydroxyethyl)-5-[(2E,4E,6E,8E)-2,6,8-trimethyl-9-(5-oxo-2H-furan-4-yl)nona-2,4,6,8-tetraenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-4-one
SYSTEMATIC NAME: (1R,2R)-2-(2-hydroxyethyl)-2-oxidanyl-5-[(2E,4E,6E,8E)-2,6,8-trimethyl-9-(5-oxidanylidene-2H-furan-4-yl)nona-2,4,6,8-tetraenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-4-one
MOLECULAR FORMULA: C22H25NO7
MOLECULAR WEIGHT: 415.4364
SMILES: C/C(=C\C(=C\C1=CCOC1=O)\C)/C=C/C=C(\C)/C(=O)C23[C@@H](O2)[C@@](NC3=O)(CCO)O
Structure:
CAS RN: 139594-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H52O9
MOLECULAR WEIGHT: 616.78198
SMILES: CC1CC2C(C(C(=C)/C=C(/C(C(CC(=O)C(CC(=O)CC3CCC(O3)C(OC(=O)CC1O2)/C=C/C=C(C)C)C)O)C)\C)O)O
Structure:
CAS RN: 133978-90-2
CAS Name: 4,5-dimethoxy-2-[(2-methoxy-1-oxoprop-2-enyl)amino]benzoic acid [3-hydroxy-6-[[(5Z,13Z)-9-hydroxy-2-[[4-hydroxy-5-[[4-hydroxy-6-methyl-5-(methylthio)-2-oxanyl]oxyamino]-3-[[4-methoxy-5-(propan-2-ylamino)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-12-(methoxycar
OPENEYE Name: [3-hydroxy-6-[[(5Z,13Z)-9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyl-tetrahydropyran-2-yl)oxyamino]-3-[5-(isopropylamino)-4-methoxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltetrasu
IUPAC Name: [3-hydroxy-6-[[(5Z,13Z)-9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltetrasulfanyl)ethylidene]-11-oxo-10-bicyc
SYSTEMATIC NAME: [6-[[(5Z,13Z)-12-(methoxycarbonylamino)-2-[3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyl-5-[(6-methyl-5-methylsulfanyl-4-oxidanyl-oxan-2-yl)oxyamino]-4-oxidanyl-oxan-2-yl]oxy-13-[2-(methyltetrasulfanyl)ethylidene]-9-oxidanyl-11-oxidanylidene-10-
MOLECULAR FORMULA: C59H80N4O22S5
MOLECULAR WEIGHT: 1357.6051
SMILES: CC1C(C(C(C(O1)OC2C#C/C=C\C#CC\3(C(C(=O)C(=C2/C3=C/CSSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O
Structure:
CAS RN: 25609-89-6
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 39355-40-3
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 52624-16-5
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 55353-15-6
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 55777-55-4
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 62046-79-1
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 70992-32-4
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 80883-30-3
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 83138-10-7
CAS Name: acetic acid ethenyl ester; (E)-2-butenoic acid
OPENEYE Name: (E)-but-2-enoic acid; vinyl acetate
IUPAC Name: (E)-but-2-enoic acid; ethenyl acetate
SYSTEMATIC NAME: (E)-but-2-enoic acid; ethenyl ethanoate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: C/C=C/C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 109759-36-6
CAS Name: (Z)-2-butenedioic acid; styrene
OPENEYE Name: maleic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 172721-82-3
CAS Name: (Z)-2-butenedioic acid; styrene
OPENEYE Name: maleic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 201340-14-9
CAS Name: (Z)-2-butenedioic acid; styrene
OPENEYE Name: maleic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 244293-00-3
CAS Name: (Z)-2-butenedioic acid; styrene
OPENEYE Name: maleic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 25300-64-5
CAS Name: (Z)-2-butenedioic acid; styrene
OPENEYE Name: maleic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 423169-72-6
CAS Name: (Z)-2-butenedioic acid; styrene
OPENEYE Name: maleic acid; styrene
IUPAC Name: (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C12H12O4
MOLECULAR WEIGHT: 220.22128
SMILES: C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 25119-68-0
CAS Name: (Z)-4-butoxy-4-oxo-2-butenoic acid; methoxyethene
OPENEYE Name: (Z)-4-butoxy-4-oxo-but-2-enoic acid; methoxyethylene
IUPAC Name: (Z)-4-butoxy-4-oxobut-2-enoic acid; methoxyethene
SYSTEMATIC NAME: (Z)-4-butoxy-4-oxidanylidene-but-2-enoic acid; methoxyethene
MOLECULAR FORMULA: C11H18O5
MOLECULAR WEIGHT: 230.25762
SMILES: CCCCOC(=O)/C=C\C(=O)O.COC=C
Structure:
CAS RN: 54578-91-5
CAS Name: (Z)-4-butoxy-4-oxo-2-butenoic acid; methoxyethene
OPENEYE Name: (Z)-4-butoxy-4-oxo-but-2-enoic acid; methoxyethylene
IUPAC Name: (Z)-4-butoxy-4-oxobut-2-enoic acid; methoxyethene
SYSTEMATIC NAME: (Z)-4-butoxy-4-oxidanylidene-but-2-enoic acid; methoxyethene
MOLECULAR FORMULA: C11H18O5
MOLECULAR WEIGHT: 230.25762
SMILES: CCCCOC(=O)/C=C\C(=O)O.COC=C
Structure:
CAS RN: 50935-57-4
CAS Name: (Z)-4-ethoxy-4-oxo-2-butenoic acid; methoxyethene
OPENEYE Name: (Z)-4-ethoxy-4-oxo-but-2-enoic acid; methoxyethylene
IUPAC Name: (Z)-4-ethoxy-4-oxobut-2-enoic acid; methoxyethene
SYSTEMATIC NAME: (Z)-4-ethoxy-4-oxidanylidene-but-2-enoic acid; methoxyethene
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CCOC(=O)/C=C\C(=O)O.COC=C
Structure:
CAS RN: 25087-06-3
CAS Name: (Z)-4-ethoxy-4-oxo-2-butenoic acid; methoxyethene
OPENEYE Name: (Z)-4-ethoxy-4-oxo-but-2-enoic acid; methoxyethylene
IUPAC Name: (Z)-4-ethoxy-4-oxobut-2-enoic acid; methoxyethene
SYSTEMATIC NAME: (Z)-4-ethoxy-4-oxidanylidene-but-2-enoic acid; methoxyethene
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CCOC(=O)/C=C\C(=O)O.COC=C
Structure:
CAS RN: 54578-90-4
CAS Name: (Z)-4-ethoxy-4-oxo-2-butenoic acid; methoxyethene
OPENEYE Name: (Z)-4-ethoxy-4-oxo-but-2-enoic acid; methoxyethylene
IUPAC Name: (Z)-4-ethoxy-4-oxobut-2-enoic acid; methoxyethene
SYSTEMATIC NAME: (Z)-4-ethoxy-4-oxidanylidene-but-2-enoic acid; methoxyethene
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CCOC(=O)/C=C\C(=O)O.COC=C
Structure:
CAS RN: 24163-58-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H40N4
MOLECULAR WEIGHT: 552.751
SMILES: C/C=C/1\C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=C\N8C3C9(C3=CC=CC=C83)C(C2)N(C1)CC9)/C1/C(=C\C)/CN(C6C1)CC7
Structure:
CAS RN: 15280-33-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70CuN4O6
MOLECULAR WEIGHT: 946.7135
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Cu+2]
Structure:
CAS RN: 15739-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70CuN4O6
MOLECULAR WEIGHT: 946.7135
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Cu+2]
Structure:
CAS RN: 16828-14-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70CuN4O6
MOLECULAR WEIGHT: 946.7135
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Cu+2]
Structure:
CAS RN: 24111-17-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H70CuN4O6
MOLECULAR WEIGHT: 946.7135
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C=O.[Cu+2]
Structure:
CAS RN: 23743-28-4
CAS Name: disodium 5-(4-phenyl-2-triazolyl)-2-[(E)-2-[4-(4-phenyl-2-triazolyl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-(4-phenyltriazol-2-yl)-2-[(E)-2-[4-(4-phenyltriazol-2-yl)-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-(4-phenyl-1,2,3-triazol-2-yl)-2-[(E)-2-[4-(4-phenyl-1,2,3-triazol-2-yl)-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C30H20N6Na2O6S2
MOLECULAR WEIGHT: 670.62594
SMILES: C1=CC=C(C=C1)C2=NN(N=C2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
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