N,N,2-trimethyl-3-phenyl-heptan-3-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N,2-trimethyl-3-phenyl-heptan-3-amine; 2,4,6-trinitrophenol Openeye Name: picric acid; N,N,2-trimethyl-3-phenyl-heptan-3-amine CAS Name: N,N,2-trimethyl-3-phenyl-3-heptanamine; 2,4,6-trinitrophenol IUPAC Name: N,N,2-trimethyl-3-phenylheptan-3-amine; 2,4,6-trinitrophenol Traditional Name: (1-isopropyl-1-phenyl-pentyl)-dimethyl-amine; picric acid Formula: C22H30N4O7 MolecularWeight: 462.4962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N.C6H3N3O7/c1-6-7-13-16(14(2)3,17(4)5)15-11-9-8-10-12-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-12,14H,6-7,13H2,1-5H3;1-2,10H