bis(4-octylphenyl) cyclohexane-1,4-dicarboxylate

Systemtic Name: bis(4-octylphenyl) cyclohexane-1,4-dicarboxylate Openeye Name: bis(4-octylphenyl) cyclohexane-1,4-dicarboxylate CAS Name: cyclohexane-1,4-dicarboxylic acid bis(4-octylphenyl) ester IUPAC Name: bis(4-octylphenyl) cyclohexane-1,4-dicarboxylate Traditional Name: cyclohexane-1,4-dicarboxylic acid bis(4-octylphenyl) ester Formula: C36H52O4 MolecularWeight: 548.79568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)CCCCCCCC

InChI

InChI=1S/C36H52O4/c1-3-5-7-9-11-13-15-29-17-25-33(26-18-29)39-35(37)31-21-23-32(24-22-31)36(38)40-34-27-19-30(20-28-34)16-14-12-10-8-6-4-2/h17-20,25-28,31-32H,3-16,21-24H2,1-2H3