azecane; 2,4,6-trinitrophenol

Systemtic Name: azecane; 2,4,6-trinitrophenol Openeye Name: azecane; picric acid CAS Name: azecane; 2,4,6-trinitrophenol IUPAC Name: azecane; 2,4,6-trinitrophenol Traditional Name: azecane; picric acid Formula: C15H22N4O7 MolecularWeight: 370.35778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCNCCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCCNCCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H19N.C6H3N3O7/c1-2-4-6-8-10-9-7-5-3-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10H,1-9H2;1-2,10H