2-(3-methoxyphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(3-methoxyphenyl)sulfanyloctanoic acid Openeye Name: 2-(3-methoxyphenyl)sulfanyloctanoic acid CAS Name: 2-[(3-methoxyphenyl)thio]octanoic acid IUPAC Name: 2-(3-methoxyphenyl)sulfanyloctanoic acid Traditional Name: 2-[(3-methoxyphenyl)thio]caprylic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=CC(=C1)OC

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=CC(=C1)OC

InChI

InChI=1S/C15H22O3S/c1-3-4-5-6-10-14(15(16)17)19-13-9-7-8-12(11-13)18-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,16,17)