(2E)-2-[(2E)-2-[2-[4-[3-[3-[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propoxy]ethoxy]ethoxy]propylamino]-3-oxidanylidene-propyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid

Systemtic Name: (2E)-2-[(2E)-2-[2-[4-[3-[3-[2-[2-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]propoxy]ethoxy]ethoxy]propylamino]-3-oxidanylidene-propyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid Openeye Name: (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]vinyl]-2-[4-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-3-oxo-propyl]phenoxy]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(2-sulfoethyl)indoline-5-sulfonic acid CAS Name: (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2-indol-1-iumyl]ethenyl]-2-[4-[3-[3-[2-[2-[3-(2,5-dioxo-1-pyrrolyl)propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]phenoxy]-1-cyclohex-2-enylidene]ethylidene]-3,3-dimethyl-1-(2-sulfoethyl)-5-indolesulfonic acid IUPAC Name: (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]ethenyl]-2-[4-[3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]phenoxy]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid Traditional Name: (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]vinyl]-2-[4-[3-keto-3-[3-[2-[2-(3-maleimidopropoxy)ethoxy]ethoxy]propylamino]propyl]phenoxy]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(2-sulfoethyl)indoline-5-sulfonic acid Formula: C57H71N4O19S4+ MolecularWeight: 1244.44904

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)CCC3)OC6=CC=C(C=C6)CCC(=O)NCCCOCCOCCOCCCN7C(=O)C=CC7=O)CCS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)CCC(=O)NCCCOCCOCCOCCCN7C(=O)C=CC7=O)CCS(=O)(=O)O)C

InChI

InChI=1S/C57H70N4O19S4/c1-56(2)46-38-44(83(71,72)73)17-19-48(46)59(28-36-81(65,66)67)50(56)21-13-41-8-5-9-42(14-22-51-57(3,4)47-39-45(84(74,75)76)18-20-49(47)60(51)29-37-82(68,69)70)55(41)80-43-15-10-40(11-16-43)12-23-52(62)58-26-6-30-77-32-34-79-35-33-78-31-7-27-61-53(63)24-25-54(61)64/h10-11,13-22,24-25,38-39H,5-9,12,23,26-37H2,1-4H3,(H4-,58,62,65,66,67,68,69,70,71,72,73,74,75,76)/p+1