(3Z)-4-pentyl-3-(1-phenylhept-1-yn-3-ylidene)oxetan-2-one

Systemtic Name: (3Z)-4-pentyl-3-(1-phenylhept-1-yn-3-ylidene)oxetan-2-one Openeye Name: (3Z)-4-pentyl-3-[1-(2-phenylethynyl)pentylidene]oxetan-2-one CAS Name: (3Z)-4-pentyl-3-(1-phenylhept-1-yn-3-ylidene)-2-oxetanone IUPAC Name: (3Z)-4-pentyl-3-(1-phenylhept-1-yn-3-ylidene)oxetan-2-one Traditional Name: (3Z)-4-amyl-3-(1-butyl-3-phenyl-prop-2-ynylidene)oxetan-2-one Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(CCCC)C#CC2=CC=CC=C2)C(=O)O1

Isomeric SMILES

CCCCCC1/C(=C(\CCCC)/C#CC2=CC=CC=C2)/C(=O)O1

InChI

InChI=1S/C21H26O2/c1-3-5-8-14-19-20(21(22)23-19)18(13-6-4-2)16-15-17-11-9-7-10-12-17/h7,9-12,19H,3-6,8,13-14H2,1-2H3/b20-18-