2,4,6-trinitrophenol; 2,4,5-triphenylpyridine

Systemtic Name: 2,4,6-trinitrophenol; 2,4,5-triphenylpyridine Openeye Name: picric acid; 2,4,5-triphenylpyridine CAS Name: 2,4,6-trinitrophenol; 2,4,5-triphenylpyridine IUPAC Name: 2,4,6-trinitrophenol; 2,4,5-triphenylpyridine Traditional Name: picric acid; 2,4,5-triphenylpyridine Formula: C29H20N4O7 MolecularWeight: 536.4917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=C2C3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=C2C3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H17N.C6H3N3O7/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)24-17-22(21)19-12-6-2-7-13-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-17H;1-2,10H