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

Systemtic Name: dihexan-2-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate Openeye Name: bis(1-methylpentyl) 5-(hydroxymethyl)benzene-1,3-dicarboxylate CAS Name: 5-(hydroxymethyl)benzene-1,3-dicarboxylic acid dihexan-2-yl ester IUPAC Name: dihexan-2-yl 5-(hydroxymethyl)benzene-1,3-dicarboxylate Traditional Name: 5-methylolbenzene-1,3-dicarboxylic acid bis(1-methylpentyl) ester Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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