[(2S)-3-ethoxy-2-methanoyl-2-methyl-3-oxidanylidene-propyl] 4-bromanylbenzoate

Systemtic Name: [(2S)-3-ethoxy-2-methanoyl-2-methyl-3-oxidanylidene-propyl] 4-bromanylbenzoate Openeye Name: [(2S)-3-ethoxy-2-formyl-2-methyl-3-oxo-propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-3-ethoxy-2-formyl-2-methyl-3-oxopropyl] ester IUPAC Name: [(2S)-3-ethoxy-2-formyl-2-methyl-3-oxopropyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2S)-3-ethoxy-2-formyl-3-keto-2-methyl-propyl] ester Formula: C14H15BrO5 MolecularWeight: 343.1699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(COC(=O)C1=CC=C(C=C1)Br)C=O

Isomeric SMILES

CCOC(=O)[C@@](C)(COC(=O)C1=CC=C(C=C1)Br)C=O

InChI

InChI=1S/C14H15BrO5/c1-3-19-13(18)14(2,8-16)9-20-12(17)10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3/t14-/m1/s1