O1-heptyl O3-hexan-3-yl benzene-1,3-dicarboxylate

Systemtic Name: O1-heptyl O3-hexan-3-yl benzene-1,3-dicarboxylate Openeye Name: O3-(1-ethylbutyl) O1-heptyl benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid O1-heptyl ester O3-hexan-3-yl ester IUPAC Name: 1-O-heptyl 3-O-hexan-3-yl benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid O3-(1-ethylbutyl) ester O1-heptyl ester Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OC(CC)CCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OC(CC)CCC

InChI

InChI=1S/C21H32O4/c1-4-7-8-9-10-15-24-20(22)17-13-11-14-18(16-17)21(23)25-19(6-3)12-5-2/h11,13-14,16,19H,4-10,12,15H2,1-3H3