3-[(4-methylphenyl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]benzoate Openeye Name: 3-(p-tolylsulfanylmethyl)benzoate CAS Name: 3-[[(4-methylphenyl)thio]methyl]benzoate IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[(p-tolylthio)methyl]benzoate Formula: C15H13O2S- MolecularWeight: 257.32752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H14O2S/c1-11-5-7-14(8-6-11)18-10-12-3-2-4-13(9-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1