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

Systemtic Name: (Z)-4-[(2S)-1-(3-bromanyl-4-methoxy-phenyl)propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[(1S)-2-(3-bromo-4-methoxy-phenyl)-1-methyl-ethoxy]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[(2S)-1-(3-bromo-4-methoxyphenyl)propan-2-yl]oxy-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[(2S)-1-(3-bromo-4-methoxyphenyl)propan-2-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (Z)-4-[(1S)-2-(3-bromo-4-methoxy-phenyl)-1-methyl-ethoxy]-4-keto-but-2-enoic acid Formula: C14H15BrO5 MolecularWeight: 343.1699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrO5/c1-9(20-14(18)6-5-13(16)17)7-10-3-4-12(19-2)11(15)8-10/h3-6,8-9H,7H2,1-2H3,(H,16,17)/b6-5-/t9-/m0/s1