(3S)-3-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-4-methoxy-4-oxo-butanoic acid CAS Name: (3S)-3-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: (3S)-3-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-methoxy-4-oxobutanoic acid Traditional Name: (3S)-3-(2-bromo-5-hydroxy-4-methoxy-benzyl)-4-keto-4-methoxy-butyric acid Formula: C13H15BrO6 MolecularWeight: 347.1586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC(CC(=O)O)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)C[C@@H](CC(=O)O)C(=O)OC)O

InChI

InChI=1S/C13H15BrO6/c1-19-11-6-9(14)7(4-10(11)15)3-8(5-12(16)17)13(18)20-2/h4,6,8,15H,3,5H2,1-2H3,(H,16,17)/t8-/m0/s1