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

Systemtic Name: sodium 3-[3,3-dimethyl-5-oxidanidylperoxysulfanyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]indol-1-ium-1-yl]propane-1-sulfonate Openeye Name: sodium 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-oxidoperoxysulfanyl-indol-1-ium-1-yl]propane-1-sulfonate CAS Name: sodium 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-(oxidodioxythio)-1-indol-1-iumyl]-1-propanesulfonate IUPAC Name: sodium 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-1-yl]propane-1-sulfonate Traditional Name: sodium 3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-(oxidoperoxythio)indol-1-ium-1-yl]propane-1-sulfonate Formula: C23H25N2NaO6S2 MolecularWeight: 512.57417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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