(phenylmethyl) 7-bromanyl-2-ethanoyl-heptanoate

Systemtic Name: (phenylmethyl) 7-bromanyl-2-ethanoyl-heptanoate Openeye Name: benzyl 2-acetyl-7-bromo-heptanoate CAS Name: 2-acetyl-7-bromoheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-7-bromoheptanoate Traditional Name: 2-acetyl-7-bromo-enanthic acid benzyl ester Formula: C16H21BrO3 MolecularWeight: 341.24014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrO3/c1-13(18)15(10-6-3-7-11-17)16(19)20-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3