6,7-dimethoxyisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 6,7-dimethoxyisoquinoline; 2,4,6-trinitrophenol Openeye Name: 6,7-dimethoxyisoquinoline; picric acid CAS Name: 6,7-dimethoxyisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 6,7-dimethoxyisoquinoline; 2,4,6-trinitrophenol Traditional Name: 6,7-dimethoxyisoquinoline; picric acid Formula: C17H14N4O9 MolecularWeight: 418.31446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=NC=CC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C=NC=CC2=C1)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11NO2.C6H3N3O7/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,1-2H3;1-2,10H