1,2-di(butan-2-yl)-5-methyl-pyrazol-3-one; 2,4,6-trinitrophenol

Systemtic Name: 1,2-di(butan-2-yl)-5-methyl-pyrazol-3-one; 2,4,6-trinitrophenol Openeye Name: 5-methyl-1,2-disec-butyl-pyrazol-3-one; picric acid CAS Name: 1,2-di(butan-2-yl)-5-methyl-3-pyrazolone; 2,4,6-trinitrophenol IUPAC Name: 1,2-di(butan-2-yl)-5-methylpyrazol-3-one; 2,4,6-trinitrophenol Traditional Name: 5-methyl-1,2-disec-butyl-3-pyrazolin-3-one; picric acid Formula: C18H25N5O8 MolecularWeight: 439.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CC(=O)N1C(C)CC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=CC(=O)N1C(C)CC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H22N2O.C6H3N3O7/c1-6-9(3)13-11(5)8-12(15)14(13)10(4)7-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-10H,6-7H2,1-5H3;1-2,10H