8-ethoxy-8-oxidanylidene-7-phenylsulfanyl-octanoic acid

Systemtic Name: 8-ethoxy-8-oxidanylidene-7-phenylsulfanyl-octanoic acid Openeye Name: 8-ethoxy-8-oxo-7-phenylsulfanyl-octanoic acid CAS Name: 8-ethoxy-8-oxo-7-(phenylthio)octanoic acid IUPAC Name: 8-ethoxy-8-oxo-7-phenylsulfanyloctanoic acid Traditional Name: 8-ethoxy-8-keto-7-(phenylthio)caprylic acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCC(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CCCCCC(=O)O)SC1=CC=CC=C1

InChI

InChI=1S/C16H22O4S/c1-2-20-16(19)14(11-7-4-8-12-15(17)18)21-13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,17,18)