3-oxidanidylperoxysulfanyl-4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzenesulfonate

Systemtic Name: 3-oxidanidylperoxysulfanyl-4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzenesulfonate Openeye Name: 3-oxidoperoxysulfanyl-4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzenesulfonate CAS Name: 3-(oxidodioxythio)-4-[(2,3,3-trimethyl-1-indol-1-iumyl)methyl]benzenesulfonate IUPAC Name: 3-oxidoperoxysulfanyl-4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzenesulfonate Traditional Name: 3-(oxidoperoxythio)-4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]besylate Formula: C18H18NO6S2- MolecularWeight: 408.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=C(C=C(C=C3)S(=O)(=O)[O-])SOO[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=C(C=C(C=C3)S(=O)(=O)[O-])SOO[O-]

InChI

InChI=1S/C18H19NO6S2/c1-12-18(2,3)15-6-4-5-7-16(15)19(12)11-13-8-9-14(27(21,22)23)10-17(13)26-25-24-20/h4-10H,11H2,1-3H3,(H-,20,21,22,23)/p-1