(5,5,9-trimethyl-1-phenyl-dec-8-en-1-yn-3-yl) ethanoate

Systemtic Name: (5,5,9-trimethyl-1-phenyl-dec-8-en-1-yn-3-yl) ethanoate Openeye Name: [3,3,7-trimethyl-1-(2-phenylethynyl)oct-6-enyl] acetate CAS Name: acetic acid (5,5,9-trimethyl-1-phenyldec-8-en-1-yn-3-yl) ester IUPAC Name: (5,5,9-trimethyl-1-phenyldec-8-en-1-yn-3-yl) acetate Traditional Name: acetic acid [3,3,7-trimethyl-1-(2-phenylethynyl)oct-6-enyl] ester Formula: C21H28O2 MolecularWeight: 312.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C)CC(C#CC1=CC=CC=C1)OC(=O)C)C

Isomeric SMILES

CC(=CCCC(C)(C)CC(C#CC1=CC=CC=C1)OC(=O)C)C

InChI

InChI=1S/C21H28O2/c1-17(2)10-9-15-21(4,5)16-20(23-18(3)22)14-13-19-11-7-6-8-12-19/h6-8,10-12,20H,9,15-16H2,1-5H3