methyl 5-[(5-methoxy-2,2-dinitro-5-oxidanylidene-pentoxy)methoxy]-4,4-dinitro-pentanoate

Systemtic Name: methyl 5-[(5-methoxy-2,2-dinitro-5-oxidanylidene-pentoxy)methoxy]-4,4-dinitro-pentanoate Openeye Name: methyl 5-[(5-methoxy-2,2-dinitro-5-oxo-pentoxy)methoxy]-4,4-dinitro-pentanoate CAS Name: 5-[(5-methoxy-2,2-dinitro-5-oxopentoxy)methoxy]-4,4-dinitropentanoic acid methyl ester IUPAC Name: methyl 5-[(5-methoxy-2,2-dinitro-5-oxopentoxy)methoxy]-4,4-dinitropentanoate Traditional Name: 5-[(5-keto-5-methoxy-2,2-dinitro-pentoxy)methoxy]-4,4-dinitro-valeric acid methyl ester Formula: C13H20N4O14 MolecularWeight: 456.3163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(COCOCC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(COCOCC(CCC(=O)OC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O14/c1-28-10(18)3-5-12(14(20)21,15(22)23)7-30-9-31-8-13(16(24)25,17(26)27)6-4-11(19)29-2/h3-9H2,1-2H3