1-(cyclohexylamino)-2-methyl-propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-(cyclohexylamino)-2-methyl-propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-(cyclohexylamino)-2-methyl-propan-2-ol; picric acid CAS Name: 1-(cyclohexylamino)-2-methyl-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-(cyclohexylamino)-2-methylpropan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-(cyclohexylamino)-2-methyl-propan-2-ol; picric acid Formula: C16H24N4O8 MolecularWeight: 400.38376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1CCCCC1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(CNC1CCCCC1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H21NO.C6H3N3O7/c1-10(2,12)8-11-9-6-4-3-5-7-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9,11-12H,3-8H2,1-2H3;1-2,10H