3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]propionic acid Formula: C11H11NO5S MolecularWeight: 269.27374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSCCC(=O)O

InChI

InChI=1S/C11H11NO5S/c13-10(7-18-5-4-11(14)15)8-2-1-3-9(6-8)12(16)17/h1-3,6H,4-5,7H2,(H,14,15)