diethyl 2-[2-(11-methoxy-11-oxidanylidene-undec-1-ynyl)phenyl]propanedioate

Systemtic Name: diethyl 2-[2-(11-methoxy-11-oxidanylidene-undec-1-ynyl)phenyl]propanedioate Openeye Name: diethyl 2-[2-(11-methoxy-11-oxo-undec-1-ynyl)phenyl]propanedioate CAS Name: 2-[2-(11-methoxy-11-oxoundec-1-ynyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(11-methoxy-11-oxoundec-1-ynyl)phenyl]propanedioate Traditional Name: 2-[2-(11-keto-11-methoxy-undec-1-ynyl)phenyl]malonic acid diethyl ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1C#CCCCCCCCCC(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1C#CCCCCCCCCC(=O)OC)C(=O)OCC

InChI

InChI=1S/C25H34O6/c1-4-30-24(27)23(25(28)31-5-2)21-18-15-14-17-20(21)16-12-10-8-6-7-9-11-13-19-22(26)29-3/h14-15,17-18,23H,4-11,13,19H2,1-3H3