sodium 3-(2,3,3-trimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: sodium 3-(2,3,3-trimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-1-yl)propane-1-sulfonate Openeye Name: sodium 3-(2,3,3-trimethyl-5-oxidoperoxysulfanyl-indol-1-ium-1-yl)propane-1-sulfonate CAS Name: sodium 3-[2,3,3-trimethyl-5-(oxidodioxythio)-1-indol-1-iumyl]-1-propanesulfonate IUPAC Name: sodium 3-(2,3,3-trimethyl-5-oxidoperoxysulfanylindol-1-ium-1-yl)propane-1-sulfonate Traditional Name: sodium 3-[2,3,3-trimethyl-5-(oxidoperoxythio)indol-1-ium-1-yl]propane-1-sulfonate Formula: C14H18NNaO6S2 MolecularWeight: 383.41559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2.Na/c1-10-14(2,3)12-9-11(22-21-20-16)5-6-13(12)15(10)7-4-8-23(17,18)19;/h5-6,9H,4,7-8H2,1-3H3,(H-,16,17,18,19);/q;+1/p-1