11,11-diethyl-4-methyl-7,11-diazoniaspiro[6.6]tridecane; 2,4,6-trinitrophenol

Systemtic Name: 11,11-diethyl-4-methyl-7,11-diazoniaspiro[6.6]tridecane; 2,4,6-trinitrophenol Openeye Name: 11,11-diethyl-4-methyl-7,11-diazoniaspiro[6.6]tridecane; picric acid CAS Name: 11,11-diethyl-4-methyl-7,11-diazoniaspiro[6.6]tridecane; 2,4,6-trinitrophenol IUPAC Name: 11,11-diethyl-4-methyl-7,11-diazoniaspiro[6.6]tridecane; 2,4,6-trinitrophenol Traditional Name: 11,11-diethyl-4-methyl-7,11-diazoniaspiro[6.6]tridecane; picric acid Formula: C22H37N5O7+2 MolecularWeight: 483.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC[N+]2(CCCC(CC2)C)CC1)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+]1(CCC[N+]2(CCCC(CC2)C)CC1)CC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H34N2.C6H3N3O7/c1-4-17(5-2)11-7-12-18(15-14-17)10-6-8-16(3)9-13-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h16H,4-15H2,1-3H3;1-2,10H/q+2;