(2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinatooxy-7-sulfonato-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidanidylperoxysulfanyl-3-(sulfonatomethyl)benzo[e]indole-9-sulfonate

Systemtic Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinatooxy-7-sulfonato-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidanidylperoxysulfanyl-3-(sulfonatomethyl)benzo[e]indole-9-sulfonate Openeye Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinatooxy-7-sulfonato-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(sulfonatomethyl)benzo[e]indole-9-sulfonate CAS Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinatooxy-7-sulfonato-3-(sulfonatomethyl)-2-benzo[e]indol-3-iumyl]prop-2-enylidene]-1,1-dimethyl-7-(oxidodioxythio)-3-(sulfonatomethyl)-9-benzo[e]indolesulfonate IUPAC Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfinatooxy-7-sulfonato-3-(sulfonatomethyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(sulfonatomethyl)benzo[e]indole-9-sulfonate Traditional Name: (2Z)-2-[(E)-3-[1,1-dimethyl-9-sulfito-7-sulfonato-3-(sulfonatomethyl)benz[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-(oxidoperoxythio)-3-(sulfonatomethyl)benz[e]indole-9-sulfonate Formula: C33H27N2O18S6-5 MolecularWeight: 931.96008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])OS(=O)[O-])CS(=O)(=O)[O-])C=CC=C4C(C5=C(N4CS(=O)(=O)[O-])C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])SOO[O-])(C)C)C

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])OS(=O)[O-])CS(=O)(=O)[O-])/C=C/C=C\4/C(C5=C(N4CS(=O)(=O)[O-])C=CC6=CC(=CC(=C65)S(=O)(=O)[O-])SOO[O-])(C)C)C

InChI

InChI=1S/C33H32N2O18S6/c1-32(2)26(34(16-56(39,40)41)22-11-9-19-13-21(58(45,46)47)15-24(51-55(37)38)28(19)30(22)32)6-5-7-27-33(3,4)31-23(35(27)17-57(42,43)44)10-8-18-12-20(54-53-52-36)14-25(29(18)31)59(48,49)50/h5-15H,16-17H2,1-4H3,(H5-,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50)/p-5