bis(2-propylheptyl) benzene-1,2-dicarboxylate

Systemtic Name: bis(2-propylheptyl) benzene-1,2-dicarboxylate Openeye Name: bis(2-propylheptyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(2-propylheptyl) ester IUPAC Name: bis(2-propylheptyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(2-propylheptyl) ester Formula: C28H46O4 MolecularWeight: 446.66244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC

Isomeric SMILES

CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC

InChI

InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3