3-(2,6-dimethylheptan-4-ylamino)propan-1-ol; 2,4,6-trinitrophenol

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27NO.C6H3N3O7/c1-10(2)8-12(9-11(3)4)13-6-5-7-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-14H,5-9H2,1-4H3;1-2,10H