dimethyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(2-ethynylphenyl)methyl]-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-ethynylphenyl)methyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-(2-ethynylbenzyl)-2-propargyl-malonic acid dimethyl ester Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(CC1=CC=CC=C1C#C)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#C)(CC1=CC=CC=C1C#C)C(=O)OC

InChI

InChI=1S/C17H16O4/c1-5-11-17(15(18)20-3,16(19)21-4)12-14-10-8-7-9-13(14)6-2/h1-2,7-10H,11-12H2,3-4H3