2-[3-(2-methylphenyl)sulfanyl-2-oxidanyl-phenyl]octanoic acid

Systemtic Name: 2-[3-(2-methylphenyl)sulfanyl-2-oxidanyl-phenyl]octanoic acid Openeye Name: 2-[2-hydroxy-3-(o-tolylsulfanyl)phenyl]octanoic acid CAS Name: 2-[2-hydroxy-3-[(2-methylphenyl)thio]phenyl]octanoic acid IUPAC Name: 2-[2-hydroxy-3-(2-methylphenyl)sulfanylphenyl]octanoic acid Traditional Name: 2-[2-hydroxy-3-(o-tolylthio)phenyl]caprylic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(C(=CC=C1)SC2=CC=CC=C2C)O)C(=O)O

Isomeric SMILES

CCCCCCC(C1=C(C(=CC=C1)SC2=CC=CC=C2C)O)C(=O)O

InChI

InChI=1S/C21H26O3S/c1-3-4-5-6-11-17(21(23)24)16-12-9-14-19(20(16)22)25-18-13-8-7-10-15(18)2/h7-10,12-14,17,22H,3-6,11H2,1-2H3,(H,23,24)