tripotassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(2-oxidanidylperoxysulfanylethylperoxysulfanyl)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(2-sulfonatoethylsulfonyl)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate

Systemtic Name: tripotassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(2-oxidanidylperoxysulfanylethylperoxysulfanyl)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(2-sulfonatoethylsulfonyl)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate Openeye Name: tripotassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(2-oxidoperoxysulfanylethylperoxysulfanyl)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(2-sulfonatoethylsulfonyl)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate CAS Name: tripotassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-[2-(oxidodioxythio)ethyldioxythio]-1-(2-sulfonatoethyl)-2-indol-1-iumyl]prop-2-enylidene]-3',3'-dimethyl-5'-(2-sulfonatoethylsulfonyl)-2-spiro[aziridin-1-ium-1,1'-indol-1-ium]sulfonate IUPAC Name: tripotassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-(2-oxidoperoxysulfanylethylperoxysulfanyl)-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(2-sulfonatoethylsulfonyl)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate Traditional Name: tripotassium (2'E)-2'-[(E)-3-[3,3-dimethyl-5-[2-(oxidoperoxythio)ethylperoxythio]-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3',3'-dimethyl-5'-(2-sulfonatoethylsulfonyl)spiro[aziridin-1-ium-1,1'-indol-1-ium]-2-sulfonate Formula: C31H36K3N2O16S6+ MolecularWeight: 1002.30624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)SOOCCSOO[O-])[N+](=C1C=CC=C3C(C4=C([N+]35CC5S(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)CCS(=O)(=O)[O-])(C)C)CCS(=O)(=O)[O-])C.[K+].[K+].[K+]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)SOOCCSOO[O-])[N+](=C1/C=C/C=C/3\C(C4=C([N+]35CC5S(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)CCS(=O)(=O)[O-])(C)C)CCS(=O)(=O)[O-])C.[K+].[K+].[K+]

InChI

InChI=1S/C31H38N2O16S6.3K/c1-30(2)23-18-21(51-48-46-13-14-50-49-47-34)8-10-25(23)32(12-15-53(37,38)39)27(30)6-5-7-28-31(3,4)24-19-22(52(35,36)16-17-54(40,41)42)9-11-26(24)33(28)20-29(33)55(43,44)45;;;/h5-11,18-19,29H,12-17,20H2,1-4H3,(H2-2,34,37,38,39,40,41,42,43,44,45);;;/q;3*+1/p-2/b6-5+,28-7+;;;