6-(1,2,3-trimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-3-yl)hexanoic acid

Systemtic Name: 6-(1,2,3-trimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-3-yl)hexanoic acid Openeye Name: 6-(1,2,3-trimethyl-5-oxidoperoxysulfanyl-indol-1-ium-3-yl)hexanoic acid CAS Name: 6-[1,2,3-trimethyl-5-(oxidodioxythio)-3-indol-1-iumyl]hexanoic acid IUPAC Name: 6-(1,2,3-trimethyl-5-oxidoperoxysulfanylindol-1-ium-3-yl)hexanoic acid Traditional Name: 6-[1,2,3-trimethyl-5-(oxidoperoxythio)indol-1-ium-3-yl]hexanoic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)SOO[O-])C

Isomeric SMILES

CC1=[N+](C2=C(C1(C)CCCCCC(=O)O)C=C(C=C2)SOO[O-])C

InChI

InChI=1S/C17H23NO5S/c1-12-17(2,10-6-4-5-7-16(19)20)14-11-13(24-23-22-21)8-9-15(14)18(12)3/h8-9,11H,4-7,10H2,1-3H3,(H-,19,20,21)