3-methyl-2-(2-nitrophenyl)sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-(2-nitrophenyl)sulfanyl-butanoic acid Openeye Name: 3-methyl-2-(2-nitrophenyl)sulfanyl-butanoic acid CAS Name: 3-methyl-2-[(2-nitrophenyl)thio]butanoic acid IUPAC Name: 3-methyl-2-(2-nitrophenyl)sulfanylbutanoic acid Traditional Name: 3-methyl-2-[(2-nitrophenyl)thio]butyric acid Formula: C11H13NO4S MolecularWeight: 255.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-7(2)10(11(13)14)17-9-6-4-3-5-8(9)12(15)16/h3-7,10H,1-2H3,(H,13,14)