(1-bromanyl-1-phenyl-heptan-2-yl) ethanoate

Systemtic Name: (1-bromanyl-1-phenyl-heptan-2-yl) ethanoate Openeye Name: 1-[bromo(phenyl)methyl]hexyl acetate CAS Name: acetic acid (1-bromo-1-phenylheptan-2-yl) ester IUPAC Name: (1-bromo-1-phenylheptan-2-yl) acetate Traditional Name: acetic acid 1-[bromo(phenyl)methyl]hexyl ester Formula: C15H21BrO2 MolecularWeight: 313.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CC=CC=C1)Br)OC(=O)C

Isomeric SMILES

CCCCCC(C(C1=CC=CC=C1)Br)OC(=O)C

InChI

InChI=1S/C15H21BrO2/c1-3-4-6-11-14(18-12(2)17)15(16)13-9-7-5-8-10-13/h5,7-10,14-15H,3-4,6,11H2,1-2H3