4,6-dimethyl-2,8-diphenyl-pyrido[3,2-g]quinoline; 2,4,6-trinitrophenol

Systemtic Name: 4,6-dimethyl-2,8-diphenyl-pyrido[3,2-g]quinoline; 2,4,6-trinitrophenol Openeye Name: 4,6-dimethyl-2,8-diphenyl-pyrido[3,2-g]quinoline; picric acid CAS Name: 4,6-dimethyl-2,8-diphenylpyrido[3,2-g]quinoline; 2,4,6-trinitrophenol IUPAC Name: 4,6-dimethyl-2,8-diphenylpyrido[3,2-g]quinoline; 2,4,6-trinitrophenol Traditional Name: 4,6-dimethyl-2,8-diphenyl-pyrido[3,2-g]quinoline; picric acid Formula: C38H26N8O14 MolecularWeight: 818.65824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC3=C(C=C12)C(=CC(=N3)C4=CC=CC=C4)C)C5=CC=CC=C5.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

CC1=CC(=NC2=CC3=C(C=C12)C(=CC(=N3)C4=CC=CC=C4)C)C5=CC=CC=C5.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/C26H20N2.2C6H3N3O7/c1-17-13-23(19-9-5-3-6-10-19)27-25-16-26-22(15-21(17)25)18(2)14-24(28-26)20-11-7-4-8-12-20;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-16H,1-2H3;2*1-2,10H