4-heptan-4-ylmorpholine; 2,4,6-trinitrophenol

Systemtic Name: 4-heptan-4-ylmorpholine; 2,4,6-trinitrophenol Openeye Name: picric acid; 4-(1-propylbutyl)morpholine CAS Name: 4-heptan-4-ylmorpholine; 2,4,6-trinitrophenol IUPAC Name: 4-heptan-4-ylmorpholine; 2,4,6-trinitrophenol Traditional Name: picric acid; 4-(1-propylbutyl)morpholine Formula: C17H26N4O8 MolecularWeight: 414.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)N1CCOCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H23NO.C6H3N3O7/c1-3-5-11(6-4-2)12-7-9-13-10-8-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11H,3-10H2,1-2H3;1-2,10H