2-phenyl-4-sulfanylcarbonyl-benzoic acid

Systemtic Name: 2-phenyl-4-sulfanylcarbonyl-benzoic acid Openeye Name: 2-phenyl-4-sulfanylcarbonyl-benzoic acid CAS Name: 4-[mercapto(oxo)methyl]-2-phenylbenzoic acid IUPAC Name: 2-phenyl-4-sulfanylcarbonylbenzoic acid Traditional Name: 2-phenyl-4-thiocarboxy-benzoic acid Formula: C14H10O3S MolecularWeight: 258.2924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10O3S/c15-13(16)11-7-6-10(14(17)18)8-12(11)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)