2-methoxy-4-phenylsulfanyl-octanoic acid

Systemtic Name: 2-methoxy-4-phenylsulfanyl-octanoic acid Openeye Name: 2-methoxy-4-phenylsulfanyl-octanoic acid CAS Name: 2-methoxy-4-(phenylthio)octanoic acid IUPAC Name: 2-methoxy-4-phenylsulfanyloctanoic acid Traditional Name: 2-methoxy-4-(phenylthio)caprylic acid Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O3S/c1-3-4-8-13(11-14(18-2)15(16)17)19-12-9-6-5-7-10-12/h5-7,9-10,13-14H,3-4,8,11H2,1-2H3,(H,16,17)