3-[3,3-dimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-5-sulfanyloxyperoxy-indol-1-ium-1-yl]propane-1-sulfonate; potassium

Systemtic Name: 3-[3,3-dimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-5-sulfanyloxyperoxy-indol-1-ium-1-yl]propane-1-sulfonate; potassium Openeye Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-sulfanyloxyperoxy-indol-1-ium-1-yl]propane-1-sulfonate; potassium CAS Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-5-mercaptooxydioxy-3,3-dimethyl-1-indol-1-iumyl]-1-propanesulfonate; potassium IUPAC Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-sulfanyloxyperoxyindol-1-ium-1-yl]propane-1-sulfonate; potassium Traditional Name: 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-5-mercaptooxyperoxy-3,3-dimethyl-indol-1-ium-1-yl]propane-1-sulfonate; potassium Formula: C23H26KN2O6S2 MolecularWeight: 529.69064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OOOS)[N+](=C1C=CC=CNC3=CC=CC=C3)CCCS(=O)(=O)[O-])C.[K]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OOOS)[N+](=C1/C=C/C=C/NC3=CC=CC=C3)CCCS(=O)(=O)[O-])C.[K]

InChI

InChI=1S/C23H26N2O6S2.K/c1-23(2)20-17-19(29-30-31-32)12-13-21(20)25(15-8-16-33(26,27)28)22(23)11-6-7-14-24-18-9-4-3-5-10-18;/h3-7,9-14,17H,8,15-16H2,1-2H3,(H2,26,27,28,32);