methyl 2-[4-(4-bromanylbut-1-ynyl)phenyl]-2-methyl-propanoate

Systemtic Name: methyl 2-[4-(4-bromanylbut-1-ynyl)phenyl]-2-methyl-propanoate Openeye Name: methyl 2-[4-(4-bromobut-1-ynyl)phenyl]-2-methyl-propanoate CAS Name: 2-[4-(4-bromobut-1-ynyl)phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromobut-1-ynyl)phenyl]-2-methylpropanoate Traditional Name: 2-[4-(4-bromobut-1-ynyl)phenyl]-2-methyl-propionic acid methyl ester Formula: C15H17BrO2 MolecularWeight: 309.19828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrO2/c1-15(2,14(17)18-3)13-9-7-12(8-10-13)6-4-5-11-16/h7-10H,5,11H2,1-3H3