bis[4-(diethylamino)phenyl]-ethyl-phosphanium; 2,4,6-trinitrophenolate

Systemtic Name: bis[4-(diethylamino)phenyl]-ethyl-phosphanium; 2,4,6-trinitrophenolate Openeye Name: bis[4-(diethylamino)phenyl]-ethyl-phosphonium; 2,4,6-trinitrophenolate CAS Name: bis[4-(diethylamino)phenyl]-ethylphosphonium; 2,4,6-trinitrophenolate IUPAC Name: bis[4-(diethylamino)phenyl]-ethylphosphanium; 2,4,6-trinitrophenolate Traditional Name: bis[4-(diethylamino)phenyl]-ethyl-phosphonium picrate Formula: C28H36N5O7P MolecularWeight: 585.588501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)[PH+](CC)C2=CC=C(C=C2)N(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[PH+](CC)C2=CC=C(C=C2)N(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H33N2P.C6H3N3O7/c1-6-23(7-2)19-11-15-21(16-12-19)25(10-5)22-17-13-20(14-18-22)24(8-3)9-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-18H,6-10H2,1-5H3;1-2,10H