(2Z)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2Z)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-2-phenylsulfanyl-cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indole-5-sulfonic acid

Systemtic Name: (2Z)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2Z)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-2-phenylsulfanyl-cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indole-5-sulfonic acid Openeye Name: (2Z)-2-[(2Z)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]vinyl]-2-phenylsulfanyl-cyclohex-2-en-1-ylidene]ethylidene]-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-3,3-dimethyl-indoline-5-sulfonic acid CAS Name: (2Z)-2-[(2Z)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(4-sulfobutyl)-2-indol-1-iumyl]ethenyl]-2-(phenylthio)-1-cyclohex-2-enylidene]ethylidene]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3,3-dimethyl-5-indolesulfonic acid IUPAC Name: (2Z)-2-[(2Z)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethylindole-5-sulfonic acid Traditional Name: (2Z)-2-[(2Z)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]vinyl]-2-(phenylthio)cyclohex-2-en-1-ylidene]ethylidene]-1-(6-keto-6-succinimidooxy-hexyl)-3,3-dimethyl-indoline-5-sulfonic acid Formula: C52H63N4O12S4+ MolecularWeight: 1064.33622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)N(C)C)[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)O)(C)C)CCC3)SC7=CC=CC=C7)CCCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)N(C)C)[N+](=C1/C=C/C3=C(/C(=C\C=C/4\C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)SC7=CC=CC=C7)CCCCS(=O)(=O)O)C

InChI

InChI=1S/C52H62N4O12S4/c1-51(2)41-34-39(71(63,64)53(5)6)23-25-43(41)55(32-13-14-33-70(60,61)62)45(51)27-21-36-16-15-17-37(50(36)69-38-18-9-7-10-19-38)22-28-46-52(3,4)42-35-40(72(65,66)67)24-26-44(42)54(46)31-12-8-11-20-49(59)68-56-47(57)29-30-48(56)58/h7,9-10,18-19,21-28,34-35H,8,11-17,20,29-33H2,1-6H3,(H-,60,61,62,65,66,67)/p+1