2-(1-oxidanyloctan-2-ylsulfanyl)benzoic acid

Systemtic Name: 2-(1-oxidanyloctan-2-ylsulfanyl)benzoic acid Openeye Name: 2-[1-(hydroxymethyl)heptylsulfanyl]benzoic acid CAS Name: 2-(1-hydroxyoctan-2-ylthio)benzoic acid IUPAC Name: 2-(1-hydroxyoctan-2-ylsulfanyl)benzoic acid Traditional Name: 2-(1-methylolheptylthio)benzoic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CO)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCC(CO)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H22O3S/c1-2-3-4-5-8-12(11-16)19-14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12,16H,2-5,8,11H2,1H3,(H,17,18)