[1,1,6,6-tetradeuterio-6-(4-nitrophenyl)carbonyloxy-hexyl] 4-nitrobenzoate

Systemtic Name: [1,1,6,6-tetradeuterio-6-(4-nitrophenyl)carbonyloxy-hexyl] 4-nitrobenzoate Openeye Name: [1,1,6,6-tetradeuterio-6-(4-nitrobenzoyl)oxy-hexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1,1,6,6-tetradeuterio-6-[(4-nitrophenyl)-oxomethoxy]hexyl] ester IUPAC Name: [1,1,6,6-tetradeuterio-6-(4-nitrobenzoyl)oxyhexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1,1,6,6-tetradeuterio-6-(4-nitrobenzoyl)oxy-hexyl] ester Formula: C20H20N2O8 MolecularWeight: 420.406047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

[2H]C([2H])(CCCCC([2H])([2H])OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8/c23-19(15-5-9-17(10-6-15)21(25)26)29-13-3-1-2-4-14-30-20(24)16-7-11-18(12-8-16)22(27)28/h5-12H,1-4,13-14H2/i13D2,14D2