2,4-dinitro-1-(3-nitrophenyl)sulfanyl-benzene

Systemtic Name: 2,4-dinitro-1-(3-nitrophenyl)sulfanyl-benzene Openeye Name: 2,4-dinitro-1-(3-nitrophenyl)sulfanyl-benzene CAS Name: 2,4-dinitro-1-[(3-nitrophenyl)thio]benzene IUPAC Name: 2,4-dinitro-1-(3-nitrophenyl)sulfanylbenzene Traditional Name: 2,4-dinitro-1-[(3-nitrophenyl)thio]benzene Formula: C12H7N3O6S MolecularWeight: 321.26548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O6S/c16-13(17)8-2-1-3-10(6-8)22-12-5-4-9(14(18)19)7-11(12)15(20)21/h1-7H