(2E)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[[(3Z)-3-[[3,3-dimethyl-1-[2-(methylsulfonylamino)-2-oxidanylidene-ethyl]-5-sulfo-indol-1-ium-2-yl]methylidene]-2-oxidanyl-4,5-bis(oxidanylidene)cyclopentyl]methylidene]-3,3-dimethyl-indole-5-sulfonic acid; potassium

Systemtic Name: (2E)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[[(3Z)-3-[[3,3-dimethyl-1-[2-(methylsulfonylamino)-2-oxidanylidene-ethyl]-5-sulfo-indol-1-ium-2-yl]methylidene]-2-oxidanyl-4,5-bis(oxidanylidene)cyclopentyl]methylidene]-3,3-dimethyl-indole-5-sulfonic acid; potassium Openeye Name: (2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-2-[[(3Z)-2-hydroxy-3-[[1-[2-(methanesulfonamido)-2-oxo-ethyl]-3,3-dimethyl-5-sulfo-indol-1-ium-2-yl]methylene]-4,5-dioxo-cyclopentyl]methylene]-3,3-dimethyl-indoline-5-sulfonic acid; potassium CAS Name: (2E)-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-2-[[(3Z)-2-hydroxy-3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfo-2-indol-1-iumyl]methylidene]-4,5-dioxocyclopentyl]methylidene]-3,3-dimethyl-5-indolesulfonic acid; potassium IUPAC Name: (2E)-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-2-[[(3Z)-2-hydroxy-3-[[1-[2-(methanesulfonamido)-2-oxoethyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]methylidene]-4,5-dioxocyclopentyl]methylidene]-3,3-dimethylindole-5-sulfonic acid; potassium Traditional Name: (2E)-2-[[(3Z)-2-hydroxy-4,5-diketo-3-[[1-[2-keto-2-(methanesulfonamido)ethyl]-3,3-dimethyl-5-sulfo-indol-1-ium-2-yl]methylene]cyclopentyl]methylene]-1-(6-keto-6-succinimidooxy-hexyl)-3,3-dimethyl-indoline-5-sulfonic acid; potassium Formula: C40H45KN4O16S3+ MolecularWeight: 973.0958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)N(C1=CC3C(C(=CC4=[N+](C5=C(C4(C)C)C=C(C=C5)S(=O)(=O)O)CC(=O)NS(=O)(=O)C)C(=O)C3=O)O)CCCCCC(=O)ON6C(=O)CCC6=O)C.[K]

Isomeric SMILES

CC\1(C2=C(C=CC(=C2)S(=O)(=O)O)N(/C1=C/C3C(/C(=C/C4=[N+](C5=C(C4(C)C)C=C(C=C5)S(=O)(=O)O)CC(=O)NS(=O)(=O)C)/C(=O)C3=O)O)CCCCCC(=O)ON6C(=O)CCC6=O)C.[K]

InChI

InChI=1S/C40H44N4O16S3.K/c1-39(2)26-17-22(62(54,55)56)10-12-28(26)42(16-8-6-7-9-35(48)60-44-33(46)14-15-34(44)47)30(39)19-24-36(49)25(38(51)37(24)50)20-31-40(3,4)27-18-23(63(57,58)59)11-13-29(27)43(31)21-32(45)41-61(5,52)53;/h10-13,17-20,24,36,49H,6-9,14-16,21H2,1-5H3,(H2-,41,45,54,55,56,57,58,59);/p+1/b25-20-,30-19+;