bis(2-ethylhexyl) 3-nitrobenzene-1,2-dicarboxylate

Systemtic Name: bis(2-ethylhexyl) 3-nitrobenzene-1,2-dicarboxylate Openeye Name: bis(2-ethylhexyl) 3-nitrobenzene-1,2-dicarboxylate CAS Name: 3-nitrobenzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester IUPAC Name: bis(2-ethylhexyl) 3-nitrobenzene-1,2-dicarboxylate Traditional Name: 3-nitrobenzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester Formula: C24H37NO6 MolecularWeight: 435.55368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H37NO6/c1-5-9-12-18(7-3)16-30-23(26)20-14-11-15-21(25(28)29)22(20)24(27)31-17-19(8-4)13-10-6-2/h11,14-15,18-19H,5-10,12-13,16-17H2,1-4H3