2-(nonan-5-ylamino)butan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-(nonan-5-ylamino)butan-1-ol; 2,4,6-trinitrophenol Openeye Name: 2-(1-butylpentylamino)butan-1-ol; picric acid CAS Name: 2-(nonan-5-ylamino)-1-butanol; 2,4,6-trinitrophenol IUPAC Name: 2-(nonan-5-ylamino)butan-1-ol; 2,4,6-trinitrophenol Traditional Name: 2-(1-butylpentylamino)butan-1-ol; picric acid Formula: C19H32N4O8 MolecularWeight: 444.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29NO.C6H3N3O7/c1-4-7-9-13(10-8-5-2)14-12(6-3)11-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h12-15H,4-11H2,1-3H3;1-2,10H