3-(phenylmethyl)-4-sulfanyl-benzoic acid

Systemtic Name: 3-(phenylmethyl)-4-sulfanyl-benzoic acid Openeye Name: 3-benzyl-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-4-sulfanylbenzoic acid Traditional Name: 3-benzyl-4-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(=C2)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)O)S

InChI

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