3-(2-methylnonan-2-ylsulfanyl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methylnonan-2-ylsulfanyl)propane-1-sulfonic acid Openeye Name: 3-(1,1-dimethyloctylsulfanyl)propane-1-sulfonic acid CAS Name: 3-(2-methylnonan-2-ylthio)-1-propanesulfonic acid IUPAC Name: 3-(2-methylnonan-2-ylsulfanyl)propane-1-sulfonic acid Traditional Name: 3-(1,1-dimethyloctylthio)propane-1-sulfonic acid Formula: C13H28O3S2 MolecularWeight: 296.48962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C)SCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCC(C)(C)SCCCS(=O)(=O)O

InChI

InChI=1S/C13H28O3S2/c1-4-5-6-7-8-10-13(2,3)17-11-9-12-18(14,15)16/h4-12H2,1-3H3,(H,14,15,16)