O1-butyl O4-icosyl benzene-1,4-dicarboxylate

Systemtic Name: O1-butyl O4-icosyl benzene-1,4-dicarboxylate Openeye Name: O1-butyl O4-icosyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-butyl ester O4-eicosyl ester IUPAC Name: 1-O-butyl 4-O-icosyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-arachyl ester O1-butyl ester Formula: C32H54O4 MolecularWeight: 502.76876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC

InChI

InChI=1S/C32H54O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-36-32(34)30-25-23-29(24-26-30)31(33)35-27-6-4-2/h23-26H,3-22,27-28H2,1-2H3