1-phenylprop-2-ynyl 5-oxidanylidenedodecanoate

Systemtic Name: 1-phenylprop-2-ynyl 5-oxidanylidenedodecanoate Openeye Name: 1-phenylprop-2-ynyl 5-oxododecanoate CAS Name: 5-oxododecanoic acid 1-phenylprop-2-ynyl ester IUPAC Name: 1-phenylprop-2-ynyl 5-oxododecanoate Traditional Name: 5-ketolauric acid 1-phenylprop-2-ynyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCCC(=O)OC(C#C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)CCCC(=O)OC(C#C)C1=CC=CC=C1

InChI

InChI=1S/C21H28O3/c1-3-5-6-7-11-15-19(22)16-12-17-21(23)24-20(4-2)18-13-9-8-10-14-18/h2,8-10,13-14,20H,3,5-7,11-12,15-17H2,1H3