4-[[2-tert-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]-2,6-dinitro-phenolate

Systemtic Name: 4-[[2-tert-butyl-2-methyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methyl]-2,6-dinitro-phenolate Openeye Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,6-dinitro-phenolate CAS Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,6-dinitrophenolate IUPAC Name: 4-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,6-dinitrophenolate Traditional Name: 4-[(2-tert-butyl-4,6-diketo-2-methyl-1,3-dioxan-5-ylidene)methyl]-2,6-dinitro-phenolate Formula: C16H15N2O9- MolecularWeight: 379.2983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C(=C2)[N+](=O)[O-])[O-])[N+](=O)[O-])C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C(=C2)[N+](=O)[O-])[O-])[N+](=O)[O-])C(=O)O1)C(C)(C)C

InChI

InChI=1S/C16H16N2O9/c1-15(2,3)16(4)26-13(20)9(14(21)27-16)5-8-6-10(17(22)23)12(19)11(7-8)18(24)25/h5-7,19H,1-4H3/p-1