4-(4-phenoxybutyl)aniline; 2,4,6-trinitrophenol

Systemtic Name: 4-(4-phenoxybutyl)aniline; 2,4,6-trinitrophenol Openeye Name: 4-(4-phenoxybutyl)aniline; picric acid CAS Name: 4-(4-phenoxybutyl)aniline; 2,4,6-trinitrophenol IUPAC Name: 4-(4-phenoxybutyl)aniline; 2,4,6-trinitrophenol Traditional Name: [4-(4-phenoxybutyl)phenyl]amine; picric acid Formula: C22H22N4O8 MolecularWeight: 470.43208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCC2=CC=C(C=C2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCC2=CC=C(C=C2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19NO.C6H3N3O7/c17-15-11-9-14(10-12-15)6-4-5-13-18-16-7-2-1-3-8-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-3,7-12H,4-6,13,17H2;1-2,10H