2-phenyl-1-(4-phenylbutyl)-2H-1,3,5-triazine-4,6-diamine; 2,4,6-trinitrophenol

Systemtic Name: 2-phenyl-1-(4-phenylbutyl)-2H-1,3,5-triazine-4,6-diamine; 2,4,6-trinitrophenol Openeye Name: 2-phenyl-1-(4-phenylbutyl)-2H-1,3,5-triazine-4,6-diamine; picric acid CAS Name: 2-phenyl-1-(4-phenylbutyl)-2H-1,3,5-triazine-4,6-diamine; 2,4,6-trinitrophenol IUPAC Name: 2-phenyl-1-(4-phenylbutyl)-2H-1,3,5-triazine-4,6-diamine; 2,4,6-trinitrophenol Traditional Name: [6-amino-2-phenyl-1-(4-phenylbutyl)-2H-s-triazin-4-yl]amine; picric acid Formula: C25H26N8O7 MolecularWeight: 550.52334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN2C(N=C(N=C2N)N)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C(N=C(N=C2N)N)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H23N5.C6H3N3O7/c20-18-22-17(16-12-5-2-6-13-16)24(19(21)23-18)14-8-7-11-15-9-3-1-4-10-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6,9-10,12-13,17H,7-8,11,14H2,(H4,20,21,22,23);1-2,10H