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

Systemtic Name: 2-(2,6-dimethylheptan-4-ylamino)propan-1-ol; 2,4,6-trinitrophenol Openeye Name: 2-[(1-isobutyl-3-methyl-butyl)amino]propan-1-ol; picric acid CAS Name: 2-(2,6-dimethylheptan-4-ylamino)-1-propanol; 2,4,6-trinitrophenol IUPAC Name: 2-(2,6-dimethylheptan-4-ylamino)propan-1-ol; 2,4,6-trinitrophenol Traditional Name: 2-[(1-isobutyl-3-methyl-butyl)amino]propan-1-ol; picric acid Formula: C18H30N4O8 MolecularWeight: 430.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27NO.C6H3N3O7/c1-9(2)6-12(7-10(3)4)13-11(5)8-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-14H,6-8H2,1-5H3;1-2,10H