O1-octyl O2-pentan-2-yl benzene-1,2-dicarboxylate

Systemtic Name: O1-octyl O2-pentan-2-yl benzene-1,2-dicarboxylate Openeye Name: O2-(1-methylbutyl) O1-octyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-octyl ester O2-pentan-2-yl ester IUPAC Name: 1-O-octyl 2-O-pentan-2-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(1-methylbutyl) ester O1-octyl ester Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(C)CCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OC(C)CCC

InChI

InChI=1S/C21H32O4/c1-4-6-7-8-9-12-16-24-20(22)18-14-10-11-15-19(18)21(23)25-17(3)13-5-2/h10-11,14-15,17H,4-9,12-13,16H2,1-3H3