9-(2,4-dinitrophenyl)sulfanyl-9-azabicyclo[6.1.0]nonane

Systemtic Name: 9-(2,4-dinitrophenyl)sulfanyl-9-azabicyclo[6.1.0]nonane Openeye Name: 9-(2,4-dinitrophenyl)sulfanyl-9-azabicyclo[6.1.0]nonane CAS Name: 9-[(2,4-dinitrophenyl)thio]-9-azabicyclo[6.1.0]nonane IUPAC Name: 9-(2,4-dinitrophenyl)sulfanyl-9-azabicyclo[6.1.0]nonane Traditional Name: 9-[(2,4-dinitrophenyl)thio]-9-azabicyclo[6.1.0]nonane Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2C(N2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC1

Isomeric SMILES

C1CCCC2C(N2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC1

InChI

InChI=1S/C14H17N3O4S/c18-16(19)10-7-8-14(13(9-10)17(20)21)22-15-11-5-3-1-2-4-6-12(11)15/h7-9,11-12H,1-6H2