3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-[4-(phenylcarbonyloxy)phenyl]propanoic acid

Systemtic Name: 3-(2-nitrophenyl)sulfanyl-2-oxidanyl-2-[4-(phenylcarbonyloxy)phenyl]propanoic acid Openeye Name: 2-(4-benzoyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-(4-benzoyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(4-benzoyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-(4-benzoyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propionic acid Formula: C22H17NO7S MolecularWeight: 439.43788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CSC3=CC=CC=C3[N+](=O)[O-])(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CSC3=CC=CC=C3[N+](=O)[O-])(C(=O)O)O

InChI

InChI=1S/C22H17NO7S/c24-20(15-6-2-1-3-7-15)30-17-12-10-16(11-13-17)22(27,21(25)26)14-31-19-9-5-4-8-18(19)23(28)29/h1-13,27H,14H2,(H,25,26)