dihexyl 5-methylbenzene-1,3-dicarboxylate

Systemtic Name: dihexyl 5-methylbenzene-1,3-dicarboxylate Openeye Name: dihexyl 5-methylbenzene-1,3-dicarboxylate CAS Name: 5-methylbenzene-1,3-dicarboxylic acid dihexyl ester IUPAC Name: dihexyl 5-methylbenzene-1,3-dicarboxylate Traditional Name: 5-methylbenzene-1,3-dicarboxylic acid dihexyl ester Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC(=C1)C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC(=C1)C)C(=O)OCCCCCC

InChI

InChI=1S/C21H32O4/c1-4-6-8-10-12-24-20(22)18-14-17(3)15-19(16-18)21(23)25-13-11-9-7-5-2/h14-16H,4-13H2,1-3H3