2,4,6-trinitrophenol; 2,4,6-triphenylpyrylium

Systemtic Name: 2,4,6-trinitrophenol; 2,4,6-triphenylpyrylium Openeye Name: picric acid; 2,4,6-triphenylpyrylium CAS Name: 2,4,6-trinitrophenol; 2,4,6-triphenylpyrylium IUPAC Name: 2,4,6-trinitrophenol; 2,4,6-triphenylpyrylium Traditional Name: picric acid; 2,4,6-triphenylpyrylium Formula: C29H20N3O8+ MolecularWeight: 538.4844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[O+]C(=C2)C3=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(=[O+]C(=C2)C3=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/C23H17O.C6H3N3O7/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-17H;1-2,10H/q+1;