6-[3,5-bis(oxidanyl)phenyl]carbonyloxyhexyl 3,5-dinitrobenzoate

Systemtic Name: 6-[3,5-bis(oxidanyl)phenyl]carbonyloxyhexyl 3,5-dinitrobenzoate Openeye Name: 6-(3,5-dihydroxybenzoyl)oxyhexyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 6-[(3,5-dihydroxyphenyl)-oxomethoxy]hexyl ester IUPAC Name: 6-(3,5-dihydroxybenzoyl)oxyhexyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 6-(3,5-dihydroxybenzoyl)oxyhexyl ester Formula: C20H20N2O10 MolecularWeight: 448.3802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O10/c23-17-9-14(10-18(24)12-17)20(26)32-6-4-2-1-3-5-31-19(25)13-7-15(21(27)28)11-16(8-13)22(29)30/h7-12,23-24H,1-6H2