2-(4-methanoyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid

Systemtic Name: 2-(4-methanoyloxyphenyl)-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid Openeye Name: 2-(4-formyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-(4-formyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(4-formyloxyphenyl)-2-hydroxy-3-(2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-(4-formyloxyphenyl)-2-hydroxy-3-[(2-nitrophenyl)thio]propionic acid Formula: C16H13NO7S MolecularWeight: 363.34192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(C2=CC=C(C=C2)OC=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(C2=CC=C(C=C2)OC=O)(C(=O)O)O

InChI

InChI=1S/C16H13NO7S/c18-10-24-12-7-5-11(6-8-12)16(21,15(19)20)9-25-14-4-2-1-3-13(14)17(22)23/h1-8,10,21H,9H2,(H,19,20)