2-[3-(carboxymethyl)-4-phenylsulfanyl-phenyl]propanoic acid

Systemtic Name: 2-[3-(carboxymethyl)-4-phenylsulfanyl-phenyl]propanoic acid Openeye Name: 2-[3-(carboxymethyl)-4-phenylsulfanyl-phenyl]propanoic acid CAS Name: 2-[3-(carboxymethyl)-4-(phenylthio)phenyl]propanoic acid IUPAC Name: 2-[3-(carboxymethyl)-4-phenylsulfanylphenyl]propanoic acid Traditional Name: 2-[3-(carboxymethyl)-4-(phenylthio)phenyl]propionic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)SC2=CC=CC=C2)CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)SC2=CC=CC=C2)CC(=O)O)C(=O)O

InChI

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