2-phenyl-4-(2-sulfanylideneethanoyloxymethyl)benzoic acid

Systemtic Name: 2-phenyl-4-(2-sulfanylideneethanoyloxymethyl)benzoic acid Openeye Name: 2-phenyl-4-[(2-thioxoacetyl)oxymethyl]benzoic acid CAS Name: 4-[(1-oxo-2-sulfanylideneethoxy)methyl]-2-phenylbenzoic acid IUPAC Name: 2-phenyl-4-[(2-sulfanylideneacetyl)oxymethyl]benzoic acid Traditional Name: 2-phenyl-4-[(2-thioxoacetyl)oxymethyl]benzoic acid Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O4S/c17-15(10-21)20-9-11-6-7-13(16(18)19)14(8-11)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,18,19)