2-(3-phenylpropyl)pyridine; 2,4,6-trinitrophenolate

Systemtic Name: 2-(3-phenylpropyl)pyridine; 2,4,6-trinitrophenolate Openeye Name: 2-(3-phenylpropyl)pyridine; 2,4,6-trinitrophenolate CAS Name: 2-(3-phenylpropyl)pyridine; 2,4,6-trinitrophenolate IUPAC Name: 2-(3-phenylpropyl)pyridine; 2,4,6-trinitrophenolate Traditional Name: 2-(3-phenylpropyl)pyridine picrate Formula: C20H17N4O7- MolecularWeight: 425.37158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC=CC=N2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC=CC=N2.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N.C6H3N3O7/c1-2-7-13(8-3-1)9-6-11-14-10-4-5-12-15-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,7-8,10,12H,6,9,11H2;1-2,10H/p-1