O2-(4-nitrophenyl) O1-octyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(4-nitrophenyl) O1-octyl benzene-1,2-dicarboxylate Openeye Name: O2-(4-nitrophenyl) O1-octyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(4-nitrophenyl) ester O1-octyl ester IUPAC Name: 2-O-(4-nitrophenyl) 1-O-octyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(4-nitrophenyl) ester O1-octyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25NO6/c1-2-3-4-5-6-9-16-28-21(24)19-10-7-8-11-20(19)22(25)29-18-14-12-17(13-15-18)23(26)27/h7-8,10-15H,2-6,9,16H2,1H3