2-[2-(carboxycarbonyl)phenyl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(carboxycarbonyl)phenyl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(2-oxalophenyl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(2-oxalophenyl)thio]-2-phenylacetic acid IUPAC Name: 2-(2-oxalophenyl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(2-oxalophenyl)thio]-2-phenyl-acetic acid Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=CC=CC=C2C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=CC=CC=C2C(=O)C(=O)O

InChI

InChI=1S/C16H12O5S/c17-13(15(18)19)11-8-4-5-9-12(11)22-14(16(20)21)10-6-2-1-3-7-10/h1-9,14H,(H,18,19)(H,20,21)