(2E)-2-[(E)-3-[1-[6-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propylamino]-6-oxidanylidene-hexyl]-3,3-dimethyl-indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-indole-5-sulfonic acid

Systemtic Name: (2E)-2-[(E)-3-[1-[6-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propylamino]-6-oxidanylidene-hexyl]-3,3-dimethyl-indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-indole-5-sulfonic acid Openeye Name: (2E)-2-[(E)-3-[1-[6-[3-(2,5-dioxopyrrol-1-yl)propylamino]-6-oxo-hexyl]-3,3-dimethyl-indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-indoline-5-sulfonic acid CAS Name: (2E)-2-[(E)-3-[1-[6-[3-(2,5-dioxo-1-pyrrolyl)propylamino]-6-oxohexyl]-3,3-dimethyl-2-indol-1-iumyl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-5-indolesulfonic acid IUPAC Name: (2E)-2-[(E)-3-[1-[6-[3-(2,5-dioxopyrrol-1-yl)propylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid Traditional Name: (2E)-1-ethyl-2-[(E)-3-[1-[6-keto-6-(3-maleimidopropylamino)hexyl]-3,3-dimethyl-indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indoline-5-sulfonic acid Formula: C38H47N4O6S+ MolecularWeight: 687.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)O)C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCC(=O)NCCCN5C(=O)C=CC5=O)(C)C

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)S(=O)(=O)O)C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCC(=O)NCCCN5C(=O)C=CC5=O)(C)C

InChI

InChI=1S/C38H46N4O6S/c1-6-40-31-20-19-27(49(46,47)48)26-29(31)38(4,5)32(40)16-12-17-33-37(2,3)28-14-9-10-15-30(28)41(33)24-11-7-8-18-34(43)39-23-13-25-42-35(44)21-22-36(42)45/h9-10,12,14-17,19-22,26H,6-8,11,13,18,23-25H2,1-5H3,(H-,39,43,46,47,48)/p+1