2-(3-methoxyphenyl)sulfanyldecanoic acid

Systemtic Name: 2-(3-methoxyphenyl)sulfanyldecanoic acid Openeye Name: 2-(3-methoxyphenyl)sulfanyldecanoic acid CAS Name: 2-[(3-methoxyphenyl)thio]decanoic acid IUPAC Name: 2-(3-methoxyphenyl)sulfanyldecanoic acid Traditional Name: 2-[(3-methoxyphenyl)thio]capric acid Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3S/c1-3-4-5-6-7-8-12-16(17(18)19)21-15-11-9-10-14(13-15)20-2/h9-11,13,16H,3-8,12H2,1-2H3,(H,18,19)