O1-(4-cyanophenyl) O2-(6-ethyloctan-3-yl) benzene-1,2-dicarboxylate

Systemtic Name: O1-(4-cyanophenyl) O2-(6-ethyloctan-3-yl) benzene-1,2-dicarboxylate Openeye Name: O1-(4-cyanophenyl) O2-(1,4-diethylhexyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(4-cyanophenyl) ester O2-(6-ethyloctan-3-yl) ester IUPAC Name: 1-O-(4-cyanophenyl) 2-O-(6-ethyloctan-3-yl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-(4-cyanophenyl) ester O2-(1,4-diethylhexyl) ester Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(CC)CCC(CC)OC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H29NO4/c1-4-18(5-2)11-14-20(6-3)29-24(27)22-9-7-8-10-23(22)25(28)30-21-15-12-19(17-26)13-16-21/h7-10,12-13,15-16,18,20H,4-6,11,14H2,1-3H3