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

Systemtic Name: diethyl 2-(2-hept-1-ynylphenyl)propanedioate Openeye Name: diethyl 2-(2-hept-1-ynylphenyl)propanedioate CAS Name: 2-(2-hept-1-ynylphenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-hept-1-ynylphenyl)propanedioate Traditional Name: 2-(2-hept-1-ynylphenyl)malonic acid diethyl ester Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O4/c1-4-7-8-9-10-13-16-14-11-12-15-17(16)18(19(21)23-5-2)20(22)24-6-3/h11-12,14-15,18H,4-9H2,1-3H3