O3-heptyl O1-pentyl benzene-1,3-dicarboxylate

Systemtic Name: O3-heptyl O1-pentyl benzene-1,3-dicarboxylate Openeye Name: O3-heptyl O1-pentyl benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid O3-heptyl ester O1-pentyl ester IUPAC Name: 3-O-heptyl 1-O-pentyl benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid O1-amyl ester O3-heptyl ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=CC(=C1)C(=O)OCCCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=CC(=C1)C(=O)OCCCCC

InChI

InChI=1S/C20H30O4/c1-3-5-7-8-10-15-24-20(22)18-13-11-12-17(16-18)19(21)23-14-9-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3