(phenylmethyl) 8-bromanyl-3-methyl-octanoate

Systemtic Name: (phenylmethyl) 8-bromanyl-3-methyl-octanoate Openeye Name: benzyl 8-bromo-3-methyl-octanoate CAS Name: 8-bromo-3-methyloctanoic acid (phenylmethyl) ester IUPAC Name: benzyl 8-bromo-3-methyloctanoate Traditional Name: 8-bromo-3-methyl-caprylic acid benzyl ester Formula: C16H23BrO2 MolecularWeight: 327.25662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCBr)CC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(CCCCCBr)CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H23BrO2/c1-14(8-4-3-7-11-17)12-16(18)19-13-15-9-5-2-6-10-15/h2,5-6,9-10,14H,3-4,7-8,11-13H2,1H3