3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane; 2,4,6-trinitrophenolate

Systemtic Name: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane; 2,4,6-trinitrophenolate Openeye Name: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane; 2,4,6-trinitrophenolate CAS Name: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane; 2,4,6-trinitrophenolate IUPAC Name: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane; 2,4,6-trinitrophenolate Traditional Name: 3,3-diethyl-3,6-diazoniaspiro[5.6]dodecane picrate Formula: C20H32N5O7+ MolecularWeight: 454.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC[N+]2(CCCCCC2)CC1)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+]1(CC[N+]2(CCCCCC2)CC1)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H30N2.C6H3N3O7/c1-3-15(4-2)11-13-16(14-12-15)9-7-5-6-8-10-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-14H2,1-2H3;1-2,10H/q+2;/p-1