3-oxidanylpropyl 2-bromanyl-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 3-oxidanylpropyl 2-bromanyl-3-oxidanylidene-3-phenyl-propanoate Openeye Name: 3-hydroxypropyl 2-bromo-3-oxo-3-phenyl-propanoate CAS Name: 2-bromo-3-oxo-3-phenylpropanoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 2-bromo-3-oxo-3-phenylpropanoate Traditional Name: 2-bromo-3-keto-3-phenyl-propionic acid 3-hydroxypropyl ester Formula: C12H13BrO4 MolecularWeight: 301.13322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrO4/c13-10(12(16)17-8-4-7-14)11(15)9-5-2-1-3-6-9/h1-3,5-6,10,14H,4,7-8H2