2-[(4-methylphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(4-methylphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-(p-tolylmethoxy)-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-(2-mercaptoethyl)-6-[(4-methylphenyl)methoxy]benzoic acid IUPAC Name: 2-[(4-methylphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(2-mercaptoethyl)-6-(4-methylbenzyl)oxy-benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)O)CCS

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)O)CCS

InChI

InChI=1S/C17H18O3S/c1-12-5-7-13(8-6-12)11-20-15-4-2-3-14(9-10-21)16(15)17(18)19/h2-8,21H,9-11H2,1H3,(H,18,19)