2-azanyl-3-methyl-3-sulfanyl-butanoic acid; 1-chloranyl-2,3-dinitro-benzene

Systemtic Name: 2-azanyl-3-methyl-3-sulfanyl-butanoic acid; 1-chloranyl-2,3-dinitro-benzene Openeye Name: 2-amino-3-methyl-3-sulfanyl-butanoic acid; 1-chloro-2,3-dinitro-benzene CAS Name: 2-amino-3-mercapto-3-methylbutanoic acid; 1-chloro-2,3-dinitrobenzene IUPAC Name: 2-amino-3-methyl-3-sulfanylbutanoic acid; 1-chloro-2,3-dinitrobenzene Traditional Name: 2-amino-3-mercapto-3-methyl-butyric acid; 1-chloro-2,3-dinitro-benzene Formula: C11H14ClN3O6S MolecularWeight: 351.76336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)S.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C(=O)O)N)S.C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3ClN2O4.C5H11NO2S/c7-4-2-1-3-5(8(10)11)6(4)9(12)13;1-5(2,9)3(6)4(7)8/h1-3H;3,9H,6H2,1-2H3,(H,7,8)