2-[(E,3Z)-3-[3,3-dimethyl-5-oxidanidylperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate

Systemtic Name: 2-[(E,3Z)-3-[3,3-dimethyl-5-oxidanidylperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate Openeye Name: 2-[(E,3Z)-3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indolin-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate CAS Name: 2-[(E,3Z)-3-[3,3-dimethyl-5-(oxidodioxythio)-1-(sulfonatomethyl)-2-indolylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)-7-benzo[e]indol-3-iumsulfonate IUPAC Name: 2-[(E,3Z)-3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(sulfonatomethyl)indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benzo[e]indol-3-ium-7-sulfonate Traditional Name: 2-[(E,3Z)-3-[3,3-dimethyl-5-(oxidoperoxythio)-1-(sulfonatomethyl)indolin-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(sulfonatomethyl)benz[e]indol-3-ium-7-sulfonate Formula: C29H27N2O12S4-3 MolecularWeight: 723.79088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)SOO[O-])N(C1=CC=CC3=[N+](C4=C(C3(C)C)C5=C(C=C4)C=C(C=C5)S(=O)(=O)[O-])CS(=O)(=O)[O-])CS(=O)(=O)[O-])C

Isomeric SMILES

CC\1(C2=C(C=CC(=C2)SOO[O-])N(/C1=C\C=C\C3=[N+](C4=C(C3(C)C)C5=C(C=C4)C=C(C=C5)S(=O)(=O)[O-])CS(=O)(=O)[O-])CS(=O)(=O)[O-])C

InChI

InChI=1S/C29H30N2O12S4/c1-28(2)22-15-19(44-43-42-32)9-13-23(22)30(16-45(33,34)35)25(28)6-5-7-26-29(3,4)27-21-11-10-20(47(39,40)41)14-18(21)8-12-24(27)31(26)17-46(36,37)38/h5-15H,16-17H2,1-4H3,(H3-,32,33,34,35,36,37,38,39,40,41)/p-3