diheptan-2-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate

Systemtic Name: diheptan-2-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-methylhexyl) 5-(hydroxymethyl)benzene-1,3-dicarboxylate CAS Name: 5-(hydroxymethyl)benzene-1,3-dicarboxylic acid diheptan-2-yl ester IUPAC Name: diheptan-2-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate Traditional Name: 5-methylolbenzene-1,3-dicarboxylic acid bis(1-methylhexyl) ester Formula: C23H36O5 MolecularWeight: 392.52894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=CC(=CC(=C1)CO)C(=O)OC(C)CCCCC

Isomeric SMILES

CCCCCC(C)OC(=O)C1=CC(=CC(=C1)CO)C(=O)OC(C)CCCCC

InChI

InChI=1S/C23H36O5/c1-5-7-9-11-17(3)27-22(25)20-13-19(16-24)14-21(15-20)23(26)28-18(4)12-10-8-6-2/h13-15,17-18,24H,5-12,16H2,1-4H3