dimethyl 2-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]-2-pent-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-[(E)-4-oxidanylidene-4-phenyl-but-2-enyl]-2-pent-2-ynyl-propanedioate Openeye Name: dimethyl 2-[(E)-4-oxo-4-phenyl-but-2-enyl]-2-pent-2-ynyl-propanedioate CAS Name: 2-[(E)-4-oxo-4-phenylbut-2-enyl]-2-pent-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-oxo-4-phenylbut-2-enyl]-2-pent-2-ynylpropanedioate Traditional Name: 2-[(E)-4-keto-4-phenyl-but-2-enyl]-2-pent-2-ynyl-malonic acid dimethyl ester Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC#CCC(C/C=C/C(=O)C1=CC=CC=C1)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22O5/c1-4-5-9-14-20(18(22)24-2,19(23)25-3)15-10-13-17(21)16-11-7-6-8-12-16/h6-8,10-13H,4,14-15H2,1-3H3/b13-10+