dimethyl 2-cyclohexa-2,4-dien-1-yl-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-cyclohexa-2,4-dien-1-yl-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-cyclohexa-2,4-dien-1-yl-2-prop-2-ynyl-propanedioate CAS Name: 2-(1-cyclohexa-2,4-dienyl)-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-cyclohexa-2,4-dien-1-yl-2-prop-2-ynylpropanedioate Traditional Name: 2-cyclohexa-2,4-dien-1-yl-2-propargyl-malonic acid dimethyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(C1CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#C)(C1CC=CC=C1)C(=O)OC

InChI

InChI=1S/C14H16O4/c1-4-10-14(12(15)17-2,13(16)18-3)11-8-6-5-7-9-11/h1,5-8,11H,9-10H2,2-3H3