dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-(3-phenylprop-2-ynyl)-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(3-phenylprop-2-ynyl)-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)(CC#CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

COC(=O)C(CC#C)(CC#CC1=CC=CC=C1)C(=O)OC

InChI

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