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

Systemtic Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]-4-chloranyl-benzoic acid Openeye Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]-4-chloro-benzoic acid CAS Name: 2-[[[4-(carboxymethyl)phenyl]thio]methyl]-4-chlorobenzoic acid IUPAC Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]-4-chlorobenzoic acid Traditional Name: 2-[[[4-(carboxymethyl)phenyl]thio]methyl]-4-chloro-benzoic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)SCC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)SCC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C16H13ClO4S/c17-12-3-6-14(16(20)21)11(8-12)9-22-13-4-1-10(2-5-13)7-15(18)19/h1-6,8H,7,9H2,(H,18,19)(H,20,21)