5,8-dimethylisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 5,8-dimethylisoquinoline; 2,4,6-trinitrophenol Openeye Name: 5,8-dimethylisoquinoline; picric acid CAS Name: 5,8-dimethylisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 5,8-dimethylisoquinoline; 2,4,6-trinitrophenol Traditional Name: 5,8-dimethylisoquinoline; picric acid Formula: C17H14N4O7 MolecularWeight: 386.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CN=CC2=C(C=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C=CN=CC2=C(C=C1)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N.C6H3N3O7/c1-8-3-4-9(2)11-7-12-6-5-10(8)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,1-2H3;1-2,10H