2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[4-(carboxymethyl)phenyl]thio]methyl]benzoic acid IUPAC Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[4-(carboxymethyl)phenyl]thio]methyl]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=CC=C(C=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C16H14O4S/c17-15(18)9-11-5-7-13(8-6-11)21-10-12-3-1-2-4-14(12)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)