2-(4-chlorophenyl)sulfanyl-1-methyl-3,5-dinitro-benzene

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-methyl-3,5-dinitro-benzene Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-methyl-3,5-dinitro-benzene CAS Name: 2-[(4-chlorophenyl)thio]-1-methyl-3,5-dinitrobenzene IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-methyl-3,5-dinitrobenzene Traditional Name: 2-[(4-chlorophenyl)thio]-1-methyl-3,5-dinitro-benzene Formula: C13H9ClN2O4S MolecularWeight: 324.73956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=CC=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1SC2=CC=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O4S/c1-8-6-10(15(17)18)7-12(16(19)20)13(8)21-11-4-2-9(14)3-5-11/h2-7H,1H3