(2E)-2-[(E)-3-[1-[6-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethylamino]-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-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethylamino]-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-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-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-[2-(2,5-dioxo-1-pyrrolyl)ethylamino]-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-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-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-(2-maleimidoethylamino)hexyl]-3,3-dimethyl-indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-indoline-5-sulfonic acid Formula: C37H45N4O6S+ MolecularWeight: 673.8414

Click to see the large picture

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)NCCN5C(=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)NCCN5C(=O)C=CC5=O)(C)C

InChI

InChI=1S/C37H44N4O6S/c1-6-39-30-19-18-26(48(45,46)47)25-28(30)37(4,5)31(39)15-12-16-32-36(2,3)27-13-9-10-14-29(27)40(32)23-11-7-8-17-33(42)38-22-24-41-34(43)20-21-35(41)44/h9-10,12-16,18-21,25H,6-8,11,17,22-24H2,1-5H3,(H-,38,42,45,46,47)/p+1