2-ethyl-3-methyl-4,6-diphenyl-pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 2-ethyl-3-methyl-4,6-diphenyl-pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2-ethyl-3-methyl-4,6-diphenyl-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 2-ethyl-3-methyl-4,6-diphenylpyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2-ethyl-3-methyl-4,6-diphenylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2-ethyl-3-methyl-4,6-diphenyl-pyridin-1-ium picrate Formula: C26H22N4O7 MolecularWeight: 502.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=CC=C3)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC(=[NH+]1)C2=CC=CC=C2)C3=CC=CC=C3)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N.C6H3N3O7/c1-3-19-15(2)18(16-10-6-4-7-11-16)14-20(21-19)17-12-8-5-9-13-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-14H,3H2,1-2H3;1-2,10H