4-[(2S)-1-(3-bromanyl-4-methoxy-phenyl)propan-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S)-1-(3-bromanyl-4-methoxy-phenyl)propan-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1S)-2-(3-bromo-4-methoxy-phenyl)-1-methyl-ethoxy]-4-oxo-butanoic acid CAS Name: 4-[(2S)-1-(3-bromo-4-methoxyphenyl)propan-2-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[(2S)-1-(3-bromo-4-methoxyphenyl)propan-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[(1S)-2-(3-bromo-4-methoxy-phenyl)-1-methyl-ethoxy]-4-keto-butyric acid Formula: C14H17BrO5 MolecularWeight: 345.18578

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)Br)OC(=O)CCC(=O)O

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)OC)Br)OC(=O)CCC(=O)O

InChI

InChI=1S/C14H17BrO5/c1-9(20-14(18)6-5-13(16)17)7-10-3-4-12(19-2)11(15)8-10/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)/t9-/m0/s1