8-(3,5-dinitrophenyl)carbonyloxyoctyl 3,5-dinitrobenzoate

Systemtic Name: 8-(3,5-dinitrophenyl)carbonyloxyoctyl 3,5-dinitrobenzoate Openeye Name: 8-(3,5-dinitrobenzoyl)oxyoctyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 8-[(3,5-dinitrophenyl)-oxomethoxy]octyl ester IUPAC Name: 8-(3,5-dinitrobenzoyl)oxyoctyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 8-(3,5-dinitrobenzoyl)oxyoctyl ester Formula: C22H22N4O12 MolecularWeight: 534.42968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O12/c27-21(15-9-17(23(29)30)13-18(10-15)24(31)32)37-7-5-3-1-2-4-6-8-38-22(28)16-11-19(25(33)34)14-20(12-16)26(35)36/h9-14H,1-8H2