4-butyl-N,N-diphenethyl-aniline; 2,4,6-trinitrophenol

Systemtic Name: 4-butyl-N,N-diphenethyl-aniline; 2,4,6-trinitrophenol Openeye Name: 4-butyl-N,N-diphenethyl-aniline; picric acid CAS Name: 4-butyl-N,N-diphenethylaniline; 2,4,6-trinitrophenol IUPAC Name: 4-butyl-N,N-diphenethylaniline; 2,4,6-trinitrophenol Traditional Name: (4-butylphenyl)-diphenethyl-amine; picric acid Formula: C32H34N4O7 MolecularWeight: 586.63496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(CCC2=CC=CC=C2)CCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CCC2=CC=CC=C2)CCC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H31N.C6H3N3O7/c1-2-3-10-25-15-17-26(18-16-25)27(21-19-23-11-6-4-7-12-23)22-20-24-13-8-5-9-14-24;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-9,11-18H,2-3,10,19-22H2,1H3;1-2,10H