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

Systemtic Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]-4-methyl-benzoic acid Openeye Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]-4-methyl-benzoic acid CAS Name: 2-[[[4-(carboxymethyl)phenyl]thio]methyl]-4-methylbenzoic acid IUPAC Name: 2-[[4-(carboxymethyl)phenyl]sulfanylmethyl]-4-methylbenzoic acid Traditional Name: 2-[[[4-(carboxymethyl)phenyl]thio]methyl]-4-methyl-benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)CSC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)CSC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C17H16O4S/c1-11-2-7-15(17(20)21)13(8-11)10-22-14-5-3-12(4-6-14)9-16(18)19/h2-8H,9-10H2,1H3,(H,18,19)(H,20,21)