bis(2-nitrobutyl) benzene-1,2-dicarboxylate

Systemtic Name: bis(2-nitrobutyl) benzene-1,2-dicarboxylate Openeye Name: bis(2-nitrobutyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(2-nitrobutyl) ester IUPAC Name: bis(2-nitrobutyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(2-nitrobutyl) ester Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=CC=C1C(=O)OCC(CC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)C1=CC=CC=C1C(=O)OCC(CC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O8/c1-3-11(17(21)22)9-25-15(19)13-7-5-6-8-14(13)16(20)26-10-12(4-2)18(23)24/h5-8,11-12H,3-4,9-10H2,1-2H3