2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-oxidanyl-ethanoate

Systemtic Name: 2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-oxidanyl-ethanoate Openeye Name: 2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-hydroxy-acetate CAS Name: 2-(2,6-dinitrophenyl)-2-hydroxyacetic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-(2,6-dinitrophenyl)-2-hydroxyacetate Traditional Name: 2-(2,6-dinitrophenyl)-2-hydroxy-acetic acid neopentyl ester Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7/c1-13(2,3)7-22-12(17)11(16)10-8(14(18)19)5-4-6-9(10)15(20)21/h4-6,11,16H,7H2,1-3H3