3,3,3-trinitropropylsulfonylbenzene

Systemtic Name: 3,3,3-trinitropropylsulfonylbenzene Openeye Name: 3,3,3-trinitropropylsulfonylbenzene CAS Name: 3,3,3-trinitropropylsulfonylbenzene IUPAC Name: 3,3,3-trinitropropylsulfonylbenzene Traditional Name: 3,3,3-trinitropropylsulfonylbenzene Formula: C9H9N3O8S MolecularWeight: 319.24806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O8S/c13-10(14)9(11(15)16,12(17)18)6-7-21(19,20)8-4-2-1-3-5-8/h1-5H,6-7H2