(phenylmethyl) (E,2R,3S)-2-bromanyl-3-oxidanyl-hex-4-enoate

Systemtic Name: (phenylmethyl) (E,2R,3S)-2-bromanyl-3-oxidanyl-hex-4-enoate Openeye Name: benzyl (E,2R,3S)-2-bromo-3-hydroxy-hex-4-enoate CAS Name: (E,2R,3S)-2-bromo-3-hydroxy-4-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2R,3S)-2-bromo-3-hydroxyhex-4-enoate Traditional Name: (E,2R,3S)-2-bromo-3-hydroxy-hex-4-enoic acid benzyl ester Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/[C@@H]([C@H](C(=O)OCC1=CC=CC=C1)Br)O

InChI

InChI=1S/C13H15BrO3/c1-2-6-11(15)12(14)13(16)17-9-10-7-4-3-5-8-10/h2-8,11-12,15H,9H2,1H3/b6-2+/t11-,12+/m0/s1