8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitrophenolate

Systemtic Name: 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitrophenolate Openeye Name: 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitrophenolate CAS Name: 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitrophenolate IUPAC Name: 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene; 2,4,6-trinitrophenolate Traditional Name: 8-methyl-5-azoniaspiro[4.4]nona-2,7-diene picrate Formula: C15H16N4O7 MolecularWeight: 364.31014

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C9H14N.C6H3N3O7/c1-9-4-7-10(8-9)5-2-3-6-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-4H,5-8H2,1H3;1-2,10H/q+1;/p-1