diethyl 2-(2-oct-1-ynylphenyl)propanedioate

Systemtic Name: diethyl 2-(2-oct-1-ynylphenyl)propanedioate Openeye Name: diethyl 2-(2-oct-1-ynylphenyl)propanedioate CAS Name: 2-(2-oct-1-ynylphenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-oct-1-ynylphenyl)propanedioate Traditional Name: 2-(2-oct-1-ynylphenyl)malonic acid diethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=CC=C1C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCC#CC1=CC=CC=C1C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H28O4/c1-4-7-8-9-10-11-14-17-15-12-13-16-18(17)19(20(22)24-5-2)21(23)25-6-3/h12-13,15-16,19H,4-10H2,1-3H3