6-butylphenanthridine; 2,4,6-trinitrophenol

Systemtic Name: 6-butylphenanthridine; 2,4,6-trinitrophenol Openeye Name: 6-butylphenanthridine; picric acid CAS Name: 6-butylphenanthridine; 2,4,6-trinitrophenol IUPAC Name: 6-butylphenanthridine; 2,4,6-trinitrophenol Traditional Name: 6-butylphenanthridine; picric acid Formula: C23H20N4O7 MolecularWeight: 464.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C3=CC=CC=C31.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C3=CC=CC=C31.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N.C6H3N3O7/c1-2-3-11-16-14-9-5-4-8-13(14)15-10-6-7-12-17(15)18-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-10,12H,2-3,11H2,1H3;1-2,10H