ethyl (E)-2-methyl-6-oxidanyl-2-(2-phenylethynyl)hex-4-enoate

Systemtic Name: ethyl (E)-2-methyl-6-oxidanyl-2-(2-phenylethynyl)hex-4-enoate Openeye Name: ethyl (E)-6-hydroxy-2-methyl-2-(2-phenylethynyl)hex-4-enoate CAS Name: (E)-6-hydroxy-2-methyl-2-(2-phenylethynyl)-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-hydroxy-2-methyl-2-(2-phenylethynyl)hex-4-enoate Traditional Name: (E)-6-hydroxy-2-methyl-2-(2-phenylethynyl)hex-4-enoic acid ethyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC=CCO)C#CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C)(C/C=C/CO)C#CC1=CC=CC=C1

InChI

InChI=1S/C17H20O3/c1-3-20-16(19)17(2,12-7-8-14-18)13-11-15-9-5-4-6-10-15/h4-10,18H,3,12,14H2,1-2H3/b8-7+