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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-3-5-8-16(4-2)15-28-21(24)19-9-6-7-10-20(19)22(25)29-18-13-11-17(12-14-18)23(26)27/h6-7,9-14,16H,3-5,8,15H2,1-2H3