trimethyl-[6-(trimethylazaniumyl)cyclodecyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: trimethyl-[6-(trimethylazaniumyl)cyclodecyl]azanium; 2,4,6-trinitrophenolate Openeye Name: trimethyl-[6-(trimethylammonio)cyclodecyl]ammonium; 2,4,6-trinitrophenolate CAS Name: trimethyl-[6-(trimethylammonio)cyclodecyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: trimethyl-[6-(trimethylazaniumyl)cyclodecyl]azanium; 2,4,6-trinitrophenolate Traditional Name: trimethyl-[6-(trimethylammonio)cyclodecyl]ammonium dipicrate Formula: C28H40N8O14 MolecularWeight: 712.6624

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1CCCCC(CCCC1)[N+](C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1CCCCC(CCCC1)[N+](C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H36N2.2C6H3N3O7/c1-17(2,3)15-11-7-9-13-16(18(4,5)6)14-10-8-12-15;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h15-16H,7-14H2,1-6H3;2*1-2,10H/q+2;;/p-2