diethyl 2-[2-(11-oxidanylundec-1-ynyl)phenyl]propanedioate

Systemtic Name: diethyl 2-[2-(11-oxidanylundec-1-ynyl)phenyl]propanedioate Openeye Name: diethyl 2-[2-(11-hydroxyundec-1-ynyl)phenyl]propanedioate CAS Name: 2-[2-(11-hydroxyundec-1-ynyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(11-hydroxyundec-1-ynyl)phenyl]propanedioate Traditional Name: 2-[2-(11-hydroxyundec-1-ynyl)phenyl]malonic acid diethyl ester Formula: C24H34O5 MolecularWeight: 402.52376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1C#CCCCCCCCCCO)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1C#CCCCCCCCCCO)C(=O)OCC

InChI

InChI=1S/C24H34O5/c1-3-28-23(26)22(24(27)29-4-2)21-18-14-13-17-20(21)16-12-10-8-6-5-7-9-11-15-19-25/h13-14,17-18,22,25H,3-11,15,19H2,1-2H3