O3-heptyl O1-hexyl benzene-1,3-dicarboxylate

Systemtic Name: O3-heptyl O1-hexyl benzene-1,3-dicarboxylate Openeye Name: O3-heptyl O1-hexyl benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid O3-heptyl ester O1-hexyl ester IUPAC Name: 3-O-heptyl 1-O-hexyl benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid O3-heptyl ester O1-hexyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-3-5-7-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-8-6-4-2/h12-14,17H,3-11,15-16H2,1-2H3