(2Z)-3-[6-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethylamino]-6-oxidanylidene-hexyl]-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-1-(3-sulfonatopropyl)indole-5-sulfonate; triethylazanium

Systemtic Name: (2Z)-3-[6-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethylamino]-6-oxidanylidene-hexyl]-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-1-(3-sulfonatopropyl)indole-5-sulfonate; triethylazanium Openeye Name: (2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxo-hexyl]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate; triethylammonium CAS Name: (2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)-2-indol-1-iumyl]penta-2,4-dienylidene]-3-[6-[2-(2,5-dioxo-1-pyrrolyl)ethylamino]-6-oxohexyl]-3-methyl-1-(3-sulfonatopropyl)-5-indolesulfonate; triethylammonium IUPAC Name: (2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3-methyl-1-(3-sulfonatopropyl)indole-5-sulfonate; triethylazanium Traditional Name: (2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-[6-keto-6-(2-maleimidoethylamino)hexyl]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate; triethylammonium Formula: C60H97N7O15S4 MolecularWeight: 1284.71008

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])(C)CCCCCC(=O)NCCN5C(=O)C=CC5=O)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C\3/C(C4=C(N3CCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])(C)CCCCCC(=O)NCCN5C(=O)C=CC5=O)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C42H52N4O15S4.3C6H15N/c1-41(2)32-28-30(64(56,57)58)15-17-34(32)44(23-10-26-62(50,51)52)36(41)12-6-4-7-13-37-42(3,21-9-5-8-14-38(47)43-22-25-46-39(48)19-20-40(46)49)33-29-31(65(59,60)61)16-18-35(33)45(37)24-11-27-63(53,54)55;3*1-4-7(5-2)6-3/h4,6-7,12-13,15-20,28-29H,5,8-11,14,21-27H2,1-3H3,(H4-,43,47,50,51,52,53,54,55,56,57,58,59,60,61);3*4-6H2,1-3H3