5-methylisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 5-methylisoquinoline; 2,4,6-trinitrophenol Openeye Name: 5-methylisoquinoline; picric acid CAS Name: 5-methylisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 5-methylisoquinoline; 2,4,6-trinitrophenol Traditional Name: 5-methylisoquinoline; picric acid Formula: C16H12N4O7 MolecularWeight: 372.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=CN=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1C=CN=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N.C6H3N3O7/c1-8-3-2-4-9-7-11-6-5-10(8)9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H