[(2S)-4-bromanyl-1-hexadecoxy-butan-2-yl] benzoate

Systemtic Name: [(2S)-4-bromanyl-1-hexadecoxy-butan-2-yl] benzoate Openeye Name: [(1S)-3-bromo-1-(hexadecoxymethyl)propyl] benzoate CAS Name: benzoic acid [(2S)-4-bromo-1-hexadecoxybutan-2-yl] ester IUPAC Name: [(2S)-4-bromo-1-hexadecoxybutan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-3-bromo-1-(cetyloxymethyl)propyl] ester Formula: C27H45BrO3 MolecularWeight: 497.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCBr)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](CCBr)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C27H45BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-30-24-26(21-22-28)31-27(29)25-19-16-15-17-20-25/h15-17,19-20,26H,2-14,18,21-24H2,1H3/t26-/m0/s1