1-[2,6-dimethylheptan-4-yl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-[2,6-dimethylheptan-4-yl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-[ethyl-(1-isobutyl-3-methyl-butyl)amino]propan-2-ol; picric acid CAS Name: 1-[2,6-dimethylheptan-4-yl(ethyl)amino]-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-[2,6-dimethylheptan-4-yl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-[ethyl-(1-isobutyl-3-methyl-butyl)amino]propan-2-ol; picric acid Formula: C20H34N4O8 MolecularWeight: 458.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC(C)O)C(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/C14H31NO.C6H3N3O7/c1-7-15(10-13(6)16)14(8-11(2)3)9-12(4)5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-14,16H,7-10H2,1-6H3;1-2,10H