isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: isoquinoline; 2,4,6-trinitrophenol Openeye Name: isoquinoline; picric acid CAS Name: isoquinoline; 2,4,6-trinitrophenol IUPAC Name: isoquinoline; 2,4,6-trinitrophenol Traditional Name: isoquinoline; picric acid Formula: C15H10N4O7 MolecularWeight: 358.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N.C6H3N3O7/c1-2-4-9-7-10-6-5-8(9)3-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-7H;1-2,10H