[(5E)-6,10-dimethyl-1-phenyl-undeca-5,9-dien-1-yn-4-yl] ethanoate

Systemtic Name: [(5E)-6,10-dimethyl-1-phenyl-undeca-5,9-dien-1-yn-4-yl] ethanoate Openeye Name: [(2E)-3,7-dimethyl-1-(3-phenylprop-2-ynyl)octa-2,6-dienyl] acetate CAS Name: acetic acid [(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-1-yn-4-yl] ester IUPAC Name: [(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-1-yn-4-yl] acetate Traditional Name: acetic acid [(2E)-3,7-dimethyl-1-(3-phenylprop-2-ynyl)octa-2,6-dienyl] ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CCC/C(=C/C(CC#CC1=CC=CC=C1)OC(=O)C)/C)C

InChI

InChI=1S/C21H26O2/c1-17(2)10-8-11-18(3)16-21(23-19(4)22)15-9-14-20-12-6-5-7-13-20/h5-7,10,12-13,16,21H,8,11,15H2,1-4H3/b18-16+