dimethyl 2-[3-(2-chlorophenyl)prop-2-ynyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[3-(2-chlorophenyl)prop-2-ynyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[3-(2-chlorophenyl)prop-2-ynyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[3-(2-chlorophenyl)prop-2-ynyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(2-chlorophenyl)prop-2-ynyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[3-(2-chlorophenyl)prop-2-ynyl]-2-propargyl-malonic acid dimethyl ester Formula: C17H15ClO4 MolecularWeight: 318.7516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(CC#CC1=CC=CC=C1Cl)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#C)(CC#CC1=CC=CC=C1Cl)C(=O)OC

InChI

InChI=1S/C17H15ClO4/c1-4-11-17(15(19)21-2,16(20)22-3)12-7-9-13-8-5-6-10-14(13)18/h1,5-6,8,10H,11-12H2,2-3H3