2-(2-acetyloxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(2-acetyloxyphenyl)sulfanyloctanoic acid Openeye Name: 2-(2-acetoxyphenyl)sulfanyloctanoic acid CAS Name: 2-[(2-acetyloxyphenyl)thio]octanoic acid IUPAC Name: 2-(2-acetyloxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[(2-acetoxyphenyl)thio]caprylic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=CC=C1OC(=O)C

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C16H22O4S/c1-3-4-5-6-11-15(16(18)19)21-14-10-8-7-9-13(14)20-12(2)17/h7-10,15H,3-6,11H2,1-2H3,(H,18,19)