pyrido[2,3-g]quinoline; 2,4,6-trinitrophenol; hydrate

Systemtic Name: pyrido[2,3-g]quinoline; 2,4,6-trinitrophenol; hydrate Openeye Name: picric acid; pyrido[2,3-g]quinoline; hydrate CAS Name: pyrido[2,3-g]quinoline; 2,4,6-trinitrophenol; hydrate IUPAC Name: pyrido[2,3-g]quinoline; 2,4,6-trinitrophenol; hydrate Traditional Name: picric acid; pyrido[2,3-g]quinoline; hydrate Formula: C24H16N8O15 MolecularWeight: 656.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C=CC=N3)C=C2N=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].O

Isomeric SMILES

C1=CC2=CC3=C(C=CC=N3)C=C2N=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].O

InChI

InChI=1S/C12H8N2.2C6H3N3O7.H2O/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-8H;2*1-2,10H;1H2