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

Systemtic Name: 5-(phenylmethyl)-2-sulfanyl-benzoic acid Openeye Name: 5-benzyl-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-5-(phenylmethyl)benzoic acid IUPAC Name: 5-benzyl-2-sulfanylbenzoic acid Traditional Name: 5-benzyl-2-mercapto-benzoic acid Formula: C14H12O2S MolecularWeight: 244.30888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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