(5,5-dimethyl-4-phenyl-hexan-2-yl) 3,5-dinitrobenzoate

Systemtic Name: (5,5-dimethyl-4-phenyl-hexan-2-yl) 3,5-dinitrobenzoate Openeye Name: (1,4,4-trimethyl-3-phenyl-pentyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (5,5-dimethyl-4-phenylhexan-2-yl) ester IUPAC Name: (5,5-dimethyl-4-phenylhexan-2-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1,4,4-trimethyl-3-phenyl-pentyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CC(C1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-14(10-19(21(2,3)4)15-8-6-5-7-9-15)29-20(24)16-11-17(22(25)26)13-18(12-16)23(27)28/h5-9,11-14,19H,10H2,1-4H3