O1-heptyl O3-(2-methylpentan-2-yl) benzene-1,3-dicarboxylate

Systemtic Name: O1-heptyl O3-(2-methylpentan-2-yl) benzene-1,3-dicarboxylate Openeye Name: O3-(1,1-dimethylbutyl) O1-heptyl benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid O1-heptyl ester O3-(2-methylpentan-2-yl) ester IUPAC Name: 1-O-heptyl 3-O-(2-methylpentan-2-yl) benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid O3-(1,1-dimethylbutyl) ester O1-heptyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OC(C)(C)CCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OC(C)(C)CCC

InChI

InChI=1S/C21H32O4/c1-5-7-8-9-10-15-24-19(22)17-12-11-13-18(16-17)20(23)25-21(3,4)14-6-2/h11-13,16H,5-10,14-15H2,1-4H3