(2'E)-2-carboxy-3',3'-dimethyl-2'-[(2E,4E)-5-(1,3,3-trimethyl-6-oxidanidylperoxysulfanyl-indol-1-ium-2-yl)penta-2,4-dienylidene]spiro[azetidin-1-ium-1,1'-indol-1-ium]-6'-sulfonate

Systemtic Name: (2'E)-2-carboxy-3',3'-dimethyl-2'-[(2E,4E)-5-(1,3,3-trimethyl-6-oxidanidylperoxysulfanyl-indol-1-ium-2-yl)penta-2,4-dienylidene]spiro[azetidin-1-ium-1,1'-indol-1-ium]-6'-sulfonate Openeye Name: (2'E)-2-carboxy-3',3'-dimethyl-2'-[(2E,4E)-5-(1,3,3-trimethyl-6-oxidoperoxysulfanyl-indol-1-ium-2-yl)penta-2,4-dienylidene]spiro[azetidin-1-ium-1,1'-indol-1-ium]-6'-sulfonate CAS Name: (2'E)-2-carboxy-3',3'-dimethyl-2'-[(2E,4E)-5-[1,3,3-trimethyl-6-(oxidodioxythio)-2-indol-1-iumyl]penta-2,4-dienylidene]-6'-spiro[azetidin-1-ium-1,1'-indol-1-ium]sulfonate IUPAC Name: (2'E)-2-carboxy-3',3'-dimethyl-2'-[(2E,4E)-5-(1,3,3-trimethyl-6-oxidoperoxysulfanylindol-1-ium-2-yl)penta-2,4-dienylidene]spiro[azetidin-1-ium-1,1'-indol-1-ium]-6'-sulfonate Traditional Name: (2'E)-2-carboxy-3',3'-dimethyl-2'-[(2E,4E)-5-[1,3,3-trimethyl-6-(oxidoperoxythio)indol-1-ium-2-yl]penta-2,4-dienylidene]spiro[azetidin-1-ium-1,1'-indol-1-ium]-6'-sulfonate Formula: C30H32N2O8S2 MolecularWeight: 612.71368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)SOO[O-])[N+](=C1C=CC=CC=C3C(C4=C([N+]35CCC5C(=O)O)C=C(C=C4)S(=O)(=O)[O-])(C)C)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)SOO[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C([N+]35CCC5C(=O)O)C=C(C=C4)S(=O)(=O)[O-])(C)C)C)C

InChI

InChI=1S/C30H32N2O8S2/c1-29(2)21-13-11-19(41-40-39-35)17-23(21)31(5)26(29)9-7-6-8-10-27-30(3,4)22-14-12-20(42(36,37)38)18-25(22)32(27)16-15-24(32)28(33)34/h6-14,17-18,24H,15-16H2,1-5H3,(H-2,33,34,35,36,37,38)/b8-6+,9-7+,27-10+