2-(phenylmethyl)-3-sulfanyl-benzoic acid

Systemtic Name: 2-(phenylmethyl)-3-sulfanyl-benzoic acid Openeye Name: 2-benzyl-3-sulfanyl-benzoic acid CAS Name: 3-mercapto-2-(phenylmethyl)benzoic acid IUPAC Name: 2-benzyl-3-sulfanylbenzoic acid Traditional Name: 2-benzyl-3-mercapto-benzoic acid Formula: C14H12O2S MolecularWeight: 244.30888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC=C2S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC=C2S)C(=O)O

InChI

InChI=1S/C14H12O2S/c15-14(16)11-7-4-8-13(17)12(11)9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16)