[(E)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(3-ethenylphenyl)-3-methyl-butanoate

Systemtic Name: [(E)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(3-ethenylphenyl)-3-methyl-butanoate Openeye Name: [(E)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] 3-methyl-2-(3-vinylphenyl)butanoate CAS Name: 2-(3-ethenylphenyl)-3-methylbutanoic acid [(E)-4-methyloct-4-en-1,7-diyn-3-yl] ester IUPAC Name: [(E)-4-methyloct-4-en-1,7-diyn-3-yl] 2-(3-ethenylphenyl)-3-methylbutanoate Traditional Name: 3-methyl-2-(3-vinylphenyl)butyric acid [(E)-1-ethynyl-2-methyl-hex-2-en-5-ynyl] ester Formula: C22H24O2 MolecularWeight: 320.42476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O2/c1-7-10-12-17(6)20(9-3)24-22(23)21(16(4)5)19-14-11-13-18(8-2)15-19/h1,3,8,11-16,20-21H,2,10H2,4-6H3/b17-12+