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

Systemtic Name: O3-(3,3-dimethylbutan-2-yl) O1-heptyl benzene-1,3-dicarboxylate Openeye Name: O1-heptyl O3-(1,2,2-trimethylpropyl) benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid O3-(3,3-dimethylbutan-2-yl) ester O1-heptyl ester IUPAC Name: 3-O-(3,3-dimethylbutan-2-yl) 1-O-heptyl benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid O1-heptyl ester O3-(1,2,2-trimethylpropyl) 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(C)(C)C

Isomeric SMILES

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

InChI

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