6-(dimethylamino)-4,4-diphenyl-hexan-3-one; 2,4,6-trinitrophenol

Systemtic Name: 6-(dimethylamino)-4,4-diphenyl-hexan-3-one; 2,4,6-trinitrophenol Openeye Name: 6-(dimethylamino)-4,4-diphenyl-hexan-3-one; picric acid CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-hexanone; 2,4,6-trinitrophenol IUPAC Name: 6-(dimethylamino)-4,4-diphenylhexan-3-one; 2,4,6-trinitrophenol Traditional Name: 6-(dimethylamino)-4,4-diphenyl-hexan-3-one; picric acid Formula: C26H28N4O8 MolecularWeight: 524.52252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H25NO.C6H3N3O7/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-14H,4,15-16H2,1-3H3;1-2,10H