2-(2,6-dimethylheptan-4-ylamino)butan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-(2,6-dimethylheptan-4-ylamino)butan-1-ol; 2,4,6-trinitrophenol Openeye Name: 2-[(1-isobutyl-3-methyl-butyl)amino]butan-1-ol; picric acid CAS Name: 2-(2,6-dimethylheptan-4-ylamino)-1-butanol; 2,4,6-trinitrophenol IUPAC Name: 2-(2,6-dimethylheptan-4-ylamino)butan-1-ol; 2,4,6-trinitrophenol Traditional Name: 2-[(1-isobutyl-3-methyl-butyl)amino]butan-1-ol; picric acid Formula: C19H32N4O8 MolecularWeight: 444.47938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29NO.C6H3N3O7/c1-6-12(9-15)14-13(7-10(2)3)8-11(4)5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-15H,6-9H2,1-5H3;1-2,10H