(2,2-dimethyl-5-oxidanylidene-oxolan-3-yl) 3,5-dinitrobenzoate

Systemtic Name: (2,2-dimethyl-5-oxidanylidene-oxolan-3-yl) 3,5-dinitrobenzoate Openeye Name: (2,2-dimethyl-5-oxo-tetrahydrofuran-3-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2,2-dimethyl-5-oxo-3-oxolanyl) ester IUPAC Name: (2,2-dimethyl-5-oxooxolan-3-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5-keto-2,2-dimethyl-tetrahydrofuran-3-yl) ester Formula: C13H12N2O8 MolecularWeight: 324.24298

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)O1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(C(CC(=O)O1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H12N2O8/c1-13(2)10(6-11(16)23-13)22-12(17)7-3-8(14(18)19)5-9(4-7)15(20)21/h3-5,10H,6H2,1-2H3