1',3',5'-trinitrospiro[1,3-benzodioxole-2,6'-cyclohexa-1,3-diene]

Systemtic Name: 1',3',5'-trinitrospiro[1,3-benzodioxole-2,6'-cyclohexa-1,3-diene] Openeye Name: 1',3',5'-trinitrospiro[1,3-benzodioxole-2,6'-cyclohexa-1,3-diene] CAS Name: 1',3',5'-trinitrospiro[1,3-benzodioxole-2,6'-cyclohexa-1,3-diene] IUPAC Name: 1',3',5'-trinitrospiro[1,3-benzodioxole-2,6'-cyclohexa-1,3-diene] Traditional Name: 1',3',5'-trinitrospiro[1,3-benzodioxole-2,6'-cyclohexa-1,3-diene] Formula: C12H6N3O8- MolecularWeight: 320.19134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3(O2)[C-](C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)OC3(O2)[C-](C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N3O8/c16-13(17)7-5-10(14(18)19)12(11(6-7)15(20)21)22-8-3-1-2-4-9(8)23-12/h1-6H/q-1