prop-2-ynyl 8-phenyloctanoate

Systemtic Name: prop-2-ynyl 8-phenyloctanoate Openeye Name: prop-2-ynyl 8-phenyloctanoate CAS Name: 8-phenyloctanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 8-phenyloctanoate Traditional Name: 8-phenylcaprylic acid propargyl ester Formula: C17H22O2 MolecularWeight: 258.35538

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCCCCCCC1=CC=CC=C1

Isomeric SMILES

C#CCOC(=O)CCCCCCCC1=CC=CC=C1

InChI

InChI=1S/C17H22O2/c1-2-15-19-17(18)14-10-5-3-4-7-11-16-12-8-6-9-13-16/h1,6,8-9,12-13H,3-5,7,10-11,14-15H2