(1,1-diethoxy-2-oxidanylidene-undec-3-yn-5-yl) benzoate

Systemtic Name: (1,1-diethoxy-2-oxidanylidene-undec-3-yn-5-yl) benzoate Openeye Name: 1-(4,4-diethoxy-3-oxo-but-1-ynyl)heptyl benzoate CAS Name: benzoic acid (1,1-diethoxy-2-oxoundec-3-yn-5-yl) ester IUPAC Name: (1,1-diethoxy-2-oxoundec-3-yn-5-yl) benzoate Traditional Name: benzoic acid (5,5-diethoxy-1-hexyl-4-keto-pent-2-ynyl) ester Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#CC(=O)C(OCC)OCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C#CC(=O)C(OCC)OCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H30O5/c1-4-7-8-12-15-19(27-21(24)18-13-10-9-11-14-18)16-17-20(23)22(25-5-2)26-6-3/h9-11,13-14,19,22H,4-8,12,15H2,1-3H3