ethyl (E)-2-[2-(4-bromophenyl)ethynyl]-2-methyl-6-oxidanyl-hex-4-enoate

Systemtic Name: ethyl (E)-2-[2-(4-bromophenyl)ethynyl]-2-methyl-6-oxidanyl-hex-4-enoate Openeye Name: ethyl (E)-2-[2-(4-bromophenyl)ethynyl]-6-hydroxy-2-methyl-hex-4-enoate CAS Name: (E)-2-[2-(4-bromophenyl)ethynyl]-6-hydroxy-2-methyl-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[2-(4-bromophenyl)ethynyl]-6-hydroxy-2-methylhex-4-enoate Traditional Name: (E)-2-[2-(4-bromophenyl)ethynyl]-6-hydroxy-2-methyl-hex-4-enoic acid ethyl ester Formula: C17H19BrO3 MolecularWeight: 351.23496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrO3/c1-3-21-16(20)17(2,11-4-5-13-19)12-10-14-6-8-15(18)9-7-14/h4-9,19H,3,11,13H2,1-2H3/b5-4+