O3-[1-(4-chlorophenyl)-3-methyl-pent-1-yn-3-yl] O1-ethyl propanedioate

Systemtic Name: O3-[1-(4-chlorophenyl)-3-methyl-pent-1-yn-3-yl] O1-ethyl propanedioate Openeye Name: O3-[3-(4-chlorophenyl)-1-ethyl-1-methyl-prop-2-ynyl] O1-ethyl propanedioate CAS Name: propanedioic acid O3-[1-(4-chlorophenyl)-3-methylpent-1-yn-3-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(4-chlorophenyl)-3-methylpent-1-yn-3-yl] 1-O-ethyl propanedioate Traditional Name: malonic acid O3-[3-(4-chlorophenyl)-1-ethyl-1-methyl-prop-2-ynyl] ester O1-ethyl ester Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC1=CC=C(C=C1)Cl)OC(=O)CC(=O)OCC

Isomeric SMILES

CCC(C)(C#CC1=CC=C(C=C1)Cl)OC(=O)CC(=O)OCC

InChI

InChI=1S/C17H19ClO4/c1-4-17(3,22-16(20)12-15(19)21-5-2)11-10-13-6-8-14(18)9-7-13/h6-9H,4-5,12H2,1-3H3