(2R)-2-(4-cyano-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: (2R)-2-(4-cyano-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: (2R)-2-(4-cyano-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: (2R)-2-[(4-cyano-2-nitrophenyl)thio]propanoic acid IUPAC Name: (2R)-2-(4-cyano-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: (2R)-2-[(4-cyano-2-nitro-phenyl)thio]propionic acid Formula: C10H8N2O4S MolecularWeight: 252.24652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)O)SC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4S/c1-6(10(13)14)17-9-3-2-7(5-11)4-8(9)12(15)16/h2-4,6H,1H3,(H,13,14)/t6-/m1/s1