sodium 2-[(1E,3E,5Z)-5-(7-diethylamino-4-tert-butyl-chromen-2-ylidene)penta-1,3-dienyl]-3-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpropyl]-3-methyl-1-(3-sulfonatopropyl)indole-5-sulfonate

Molecular Formula: C42H50N3NaO11S2


InChI: InChI=1/C42H51N3O11S2.Na/c1-7-43(8-2)29-17-19-32-33(41(3,4)5)27-30(55-36(32)26-29)14-10-9-11-15-37-42(6,23-12-16-40(48)56-45-38(46)21-22-39(45)47)34-28-31(58(52,53)54)18-20-35(34)44(37)24-13-25-57(49,50)51;/h9-11,14-15,17-20,26-28H,7-8,12-13,16,21-25H2,1-6H3,(H-,49,50,51,52,53,54);/q;+1/p-1/fC42H50N3O11S2.Na/q-1;m

InChIKey: InChIKey=DOZHKEVGVGFBGF-YFTOWKGXCY
SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=CC=CC=CC3=[N+](C4=C(C3(C)CCCC(=O)ON5C(=O)CCC5=O)C=C(C=C4)S(=O)(=O)[O-])CCCS(=O)(=O)[O-])O2)C(C)(C)C.[Na+]

Names:
    sodium 2-[(1E,3E,5Z)-5-(7-diethylamino-4-tert-butyl-chromen-2-ylidene)penta-1,3-dienyl]-3-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonylpropyl]-3-methyl-1-(3-sulfonatopropyl)indole-5-sulfonate

Registries:
    PubChem CID 10056429
    PubChem ID 15039940