1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline; 2,4,6-trinitrophenol

Systemtic Name: 1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline; 2,4,6-trinitrophenol Openeye Name: 1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline; picric acid CAS Name: 1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline; 2,4,6-trinitrophenol IUPAC Name: 1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline; 2,4,6-trinitrophenol Traditional Name: 1,2,3,4,6,7,8,9-octahydropyrido[3,2-g]quinoline; picric acid Formula: C24H22N8O14 MolecularWeight: 646.47668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC3=C(C=C2NC1)NCCC3.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-]

Isomeric SMILES

C1CC2=CC3=C(C=C2NC1)NCCC3.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-]

InChI

InChI=1S/C12H16N2.2C6H3N3O7/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,13-14H,1-6H2;2*1-2,10H