diethyl 2-[2-(4-octylphenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-(4-octylphenyl)ethyl]propanedioate Openeye Name: diethyl 2-[2-(4-octylphenyl)ethyl]propanedioate CAS Name: 2-[2-(4-octylphenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(4-octylphenyl)ethyl]propanedioate Traditional Name: 2-[2-(4-octylphenyl)ethyl]malonic acid diethyl ester Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H36O4/c1-4-7-8-9-10-11-12-19-13-15-20(16-14-19)17-18-21(22(24)26-5-2)23(25)27-6-3/h13-16,21H,4-12,17-18H2,1-3H3