dimethyl 2-(4-oxidanyl-4-phenyl-but-2-ynyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-(4-oxidanyl-4-phenyl-but-2-ynyl)-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-(4-hydroxy-4-phenyl-but-2-ynyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-(4-hydroxy-4-phenylbut-2-ynyl)-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-hydroxy-4-phenylbut-2-ynyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(4-hydroxy-4-phenyl-but-2-ynyl)-2-propargyl-malonic acid dimethyl ester Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5/c1-4-12-18(16(20)22-2,17(21)23-3)13-8-11-15(19)14-9-6-5-7-10-14/h1,5-7,9-10,15,19H,12-13H2,2-3H3