8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitro-3-oxidanyl-phenolate

Systemtic Name: 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitro-3-oxidanyl-phenolate Openeye Name: 3-hydroxy-2,4,6-trinitro-phenolate; 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene CAS Name: 3-hydroxy-2,4,6-trinitrophenolate; 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene IUPAC Name: 3-hydroxy-2,4,6-trinitrophenolate; 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene Traditional Name: 3-hydroxy-2,4,6-trinitro-phenolate; 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene Formula: C15H16N4O8 MolecularWeight: 380.30954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[N+]2(C1)CC=CC2.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC[N+]2(C1)CC=CC2.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H14N.C6H3N3O8/c1-9-4-7-10(8-9)5-2-3-6-10;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h2-4H,5-8H2,1H3;1,10-11H/q+1;/p-1