methyl 6-(2-bromophenyl)hex-5-ynoate

Systemtic Name: methyl 6-(2-bromophenyl)hex-5-ynoate Openeye Name: methyl 6-(2-bromophenyl)hex-5-ynoate CAS Name: 6-(2-bromophenyl)-5-hexynoic acid methyl ester IUPAC Name: methyl 6-(2-bromophenyl)hex-5-ynoate Traditional Name: 6-(2-bromophenyl)hex-5-ynoic acid methyl ester Formula: C13H13BrO2 MolecularWeight: 281.14512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC1=CC=CC=C1Br

Isomeric SMILES

COC(=O)CCCC#CC1=CC=CC=C1Br

InChI

InChI=1S/C13H13BrO2/c1-16-13(15)10-4-2-3-7-11-8-5-6-9-12(11)14/h5-6,8-9H,2,4,10H2,1H3