1-methyl-1-[5-(1-methylazocan-1-ium-1-yl)pentyl]azocan-1-ium; 2,4,6-trinitrophenol

Systemtic Name: 1-methyl-1-[5-(1-methylazocan-1-ium-1-yl)pentyl]azocan-1-ium; 2,4,6-trinitrophenol Openeye Name: 1-methyl-1-[5-(1-methylazocan-1-ium-1-yl)pentyl]azocan-1-ium; picric acid CAS Name: 1-methyl-1-[5-(1-methyl-1-azocan-1-iumyl)pentyl]azocan-1-ium; 2,4,6-trinitrophenol IUPAC Name: 1-methyl-1-[5-(1-methylazocan-1-ium-1-yl)pentyl]azocan-1-ium; 2,4,6-trinitrophenol Traditional Name: 1-methyl-1-[5-(1-methylazocan-1-ium-1-yl)pentyl]azocan-1-ium; picric acid Formula: C27H47N5O7+2 MolecularWeight: 553.69138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCCC1)CCCCC[N+]2(CCCCCCC2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1(CCCCCCC1)CCCCC[N+]2(CCCCCCC2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H44N2.C6H3N3O7/c1-22(16-10-5-3-6-11-17-22)20-14-9-15-21-23(2)18-12-7-4-8-13-19-23;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-21H2,1-2H3;1-2,10H/q+2;