bis(4-methylpentyl) 5-(hydroxymethyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(4-methylpentyl) 5-(hydroxymethyl)benzene-1,3-dicarboxylate Openeye Name: diisohexyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate CAS Name: 5-(hydroxymethyl)benzene-1,3-dicarboxylic acid bis(4-methylpentyl) ester IUPAC Name: bis(4-methylpentyl) 5-(hydroxymethyl)benzene-1,3-dicarboxylate Traditional Name: 5-methylolbenzene-1,3-dicarboxylic acid diisohexyl ester Formula: C21H32O5 MolecularWeight: 364.47578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC(=CC(=C1)CO)C(=O)OCCCC(C)C

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC(=CC(=C1)CO)C(=O)OCCCC(C)C

InChI

InChI=1S/C21H32O5/c1-15(2)7-5-9-25-20(23)18-11-17(14-22)12-19(13-18)21(24)26-10-6-8-16(3)4/h11-13,15-16,22H,5-10,14H2,1-4H3