O2-(6-ethyloctan-3-yl) O1-heptyl benzene-1,2-dicarboxylate

Systemtic Name: O2-(6-ethyloctan-3-yl) O1-heptyl benzene-1,2-dicarboxylate Openeye Name: O2-(1,4-diethylhexyl) O1-heptyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(6-ethyloctan-3-yl) ester O1-heptyl ester IUPAC Name: 2-O-(6-ethyloctan-3-yl) 1-O-heptyl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1,4-diethylhexyl) ester O1-heptyl ester Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(CC)CCC(CC)CC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(CC)CCC(CC)CC

InChI

InChI=1S/C25H40O4/c1-5-9-10-11-14-19-28-24(26)22-15-12-13-16-23(22)25(27)29-21(8-4)18-17-20(6-2)7-3/h12-13,15-16,20-21H,5-11,14,17-19H2,1-4H3