methyl 4-[(E)-6-bromanyl-4-ethyl-hex-3-enyl]benzoate

Systemtic Name: methyl 4-[(E)-6-bromanyl-4-ethyl-hex-3-enyl]benzoate Openeye Name: methyl 4-[(E)-6-bromo-4-ethyl-hex-3-enyl]benzoate CAS Name: 4-[(E)-6-bromo-4-ethylhex-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-6-bromo-4-ethylhex-3-enyl]benzoate Traditional Name: 4-[(E)-6-bromo-4-ethyl-hex-3-enyl]benzoic acid methyl ester Formula: C16H21BrO2 MolecularWeight: 325.24074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCCC1=CC=C(C=C1)C(=O)OC)CCBr

Isomeric SMILES

CC/C(=C\CCC1=CC=C(C=C1)C(=O)OC)/CCBr

InChI

InChI=1S/C16H21BrO2/c1-3-13(11-12-17)5-4-6-14-7-9-15(10-8-14)16(18)19-2/h5,7-10H,3-4,6,11-12H2,1-2H3/b13-5+