3-bromanyl-2-(2,3-dinitrocyclopenta-2,4-dien-1-yl)sulfanyl-bicyclo[2.2.1]heptane

Systemtic Name: 3-bromanyl-2-(2,3-dinitrocyclopenta-2,4-dien-1-yl)sulfanyl-bicyclo[2.2.1]heptane Openeye Name: 2-bromo-3-(2,3-dinitrocyclopenta-2,4-dien-1-yl)sulfanyl-norbornane CAS Name: 3-bromo-2-[(2,3-dinitro-1-cyclopenta-2,4-dienyl)thio]bicyclo[2.2.1]heptane IUPAC Name: 3-bromo-2-(2,3-dinitrocyclopenta-2,4-dien-1-yl)sulfanylbicyclo[2.2.1]heptane Traditional Name: 2-bromo-3-[(2,3-dinitrocyclopenta-2,4-dien-1-yl)thio]norbornane Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(C2Br)SC3C=CC(=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2CC1C(C2Br)SC3C=CC(=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13BrN2O4S/c13-10-6-1-2-7(5-6)12(10)20-9-4-3-8(14(16)17)11(9)15(18)19/h3-4,6-7,9-10,12H,1-2,5H2