1-(2,8-dimethylnonan-5-ylamino)propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-(2,8-dimethylnonan-5-ylamino)propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-[(1-isopentyl-4-methyl-pentyl)amino]propan-2-ol; picric acid CAS Name: 1-(2,8-dimethylnonan-5-ylamino)-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-(2,8-dimethylnonan-5-ylamino)propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-[(1-isoamyl-4-methyl-pentyl)amino]propan-2-ol; picric acid Formula: C20H34N4O8 MolecularWeight: 458.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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