2-[4-(2-methylphenyl)sulfanylphenyl]hexanoic acid

Systemtic Name: 2-[4-(2-methylphenyl)sulfanylphenyl]hexanoic acid Openeye Name: 2-[4-(o-tolylsulfanyl)phenyl]hexanoic acid CAS Name: 2-[4-[(2-methylphenyl)thio]phenyl]hexanoic acid IUPAC Name: 2-[4-(2-methylphenyl)sulfanylphenyl]hexanoic acid Traditional Name: 2-[4-(o-tolylthio)phenyl]hexanoic acid Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O2S/c1-3-4-8-17(19(20)21)15-10-12-16(13-11-15)22-18-9-6-5-7-14(18)2/h5-7,9-13,17H,3-4,8H2,1-2H3,(H,20,21)