5-phenylmethoxy-2-(2-sulfanylethyl)benzoic acid

Systemtic Name: 5-phenylmethoxy-2-(2-sulfanylethyl)benzoic acid Openeye Name: 5-benzyloxy-2-(2-sulfanylethyl)benzoic acid CAS Name: 2-(2-mercaptoethyl)-5-phenylmethoxybenzoic acid IUPAC Name: 5-phenylmethoxy-2-(2-sulfanylethyl)benzoic acid Traditional Name: 5-benzoxy-2-(2-mercaptoethyl)benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CCS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CCS)C(=O)O

InChI

InChI=1S/C16H16O3S/c17-16(18)15-10-14(7-6-13(15)8-9-20)19-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,17,18)