2,6-ditert-butyl-4-methyl-pyridin-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 2,6-ditert-butyl-4-methyl-pyridin-1-ium; 2,4,6-trinitrophenolate Openeye Name: 2,6-ditert-butyl-4-methyl-pyridin-1-ium; 2,4,6-trinitrophenolate CAS Name: 2,6-ditert-butyl-4-methylpyridin-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 2,6-ditert-butyl-4-methylpyridin-1-ium; 2,4,6-trinitrophenolate Traditional Name: 2,6-ditert-butyl-4-methyl-pyridin-1-ium picrate Formula: C20H26N4O7 MolecularWeight: 434.44304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1)C(C)(C)C)C(C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C(=C1)C(C)(C)C)C(C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H23N.C6H3N3O7/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9H,1-7H3;1-2,10H