3-[(2,5-dimethylphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(2,5-dimethylphenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(2,5-dimethylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(2,5-dimethylphenyl)thio]methyl]benzoic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16O2S/c1-11-6-7-12(2)15(8-11)19-10-13-4-3-5-14(9-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)