methyl (E)-7-bromanyl-9-phenyl-non-2-en-8-ynoate

Systemtic Name: methyl (E)-7-bromanyl-9-phenyl-non-2-en-8-ynoate Openeye Name: methyl (E)-7-bromo-9-phenyl-non-2-en-8-ynoate CAS Name: (E)-7-bromo-9-phenylnon-2-en-8-ynoic acid methyl ester IUPAC Name: methyl (E)-7-bromo-9-phenylnon-2-en-8-ynoate Traditional Name: (E)-7-bromo-9-phenyl-non-2-en-8-ynoic acid methyl ester Formula: C16H17BrO2 MolecularWeight: 321.20898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCC(C#CC1=CC=CC=C1)Br

Isomeric SMILES

COC(=O)/C=C/CCCC(C#CC1=CC=CC=C1)Br

InChI

InChI=1S/C16H17BrO2/c1-19-16(18)11-7-3-6-10-15(17)13-12-14-8-4-2-5-9-14/h2,4-5,7-9,11,15H,3,6,10H2,1H3/b11-7+