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

Systemtic Name: 1-methyl-1-[6-(1-methylazocan-1-ium-1-yl)hexyl]azocan-1-ium; 2,4,6-trinitrophenol Openeye Name: 1-methyl-1-[6-(1-methylazocan-1-ium-1-yl)hexyl]azocan-1-ium; picric acid CAS Name: 1-methyl-1-[6-(1-methyl-1-azocan-1-iumyl)hexyl]azocan-1-ium; 2,4,6-trinitrophenol IUPAC Name: 1-methyl-1-[6-(1-methylazocan-1-ium-1-yl)hexyl]azocan-1-ium; 2,4,6-trinitrophenol Traditional Name: 1-methyl-1-[6-(1-methylazocan-1-ium-1-yl)hexyl]azocan-1-ium; picric acid Formula: C28H49N5O7+2 MolecularWeight: 567.71796

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H46N2.C6H3N3O7/c1-23(17-11-5-3-6-12-18-23)21-15-9-10-16-22-24(2)19-13-7-4-8-14-20-24;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-22H2,1-2H3;1-2,10H/q+2;