2-(2-hydroxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(2-hydroxyphenyl)sulfanyloctanoic acid Openeye Name: 2-(2-hydroxyphenyl)sulfanyloctanoic acid CAS Name: 2-[(2-hydroxyphenyl)thio]octanoic acid IUPAC Name: 2-(2-hydroxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[(2-hydroxyphenyl)thio]caprylic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=CC=C1O

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=CC=C1O

InChI

InChI=1S/C14H20O3S/c1-2-3-4-5-10-13(14(16)17)18-12-9-7-6-8-11(12)15/h6-9,13,15H,2-5,10H2,1H3,(H,16,17)