sodium 3-[2,3-dimethyl-5-oxidanidylperoxysulfanyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)indol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[2,3-dimethyl-5-oxidanidylperoxysulfanyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)indol-1-ium-1-yl]propane-1-sulfonate Openeye Name: sodium 3-[3-(6-hydroxy-6-oxo-hexyl)-2,3-dimethyl-5-oxidoperoxysulfanyl-indol-1-ium-1-yl]propane-1-sulfonate CAS Name: sodium 3-[3-(6-hydroxy-6-oxohexyl)-2,3-dimethyl-5-(oxidodioxythio)-1-indol-1-iumyl]-1-propanesulfonate IUPAC Name: sodium 3-[3-(6-hydroxy-6-oxohexyl)-2,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-1-yl]propane-1-sulfonate Traditional Name: sodium 3-[3-(6-hydroxy-6-keto-hexyl)-2,3-dimethyl-5-(oxidoperoxythio)indol-1-ium-1-yl]propane-1-sulfonate Formula: C19H26NNaO8S2 MolecularWeight: 483.53141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO8S2.Na/c1-14-19(2,10-5-3-4-7-18(21)22)16-13-15(29-28-27-23)8-9-17(16)20(14)11-6-12-30(24,25)26;/h8-9,13H,3-7,10-12H2,1-2H3,(H2-,21,22,23,24,25,26);/q;+1/p-1