(2R)-4-[3-ethanoyl-2,6-bis(oxidanyl)phenyl]-2-methoxy-butanoate

Systemtic Name: (2R)-4-[3-ethanoyl-2,6-bis(oxidanyl)phenyl]-2-methoxy-butanoate Openeye Name: (2R)-4-(3-acetyl-2,6-dihydroxy-phenyl)-2-methoxy-butanoate CAS Name: (2R)-4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybutanoate IUPAC Name: (2R)-4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxybutanoate Traditional Name: (2R)-4-(3-acetyl-2,6-dihydroxy-phenyl)-2-methoxy-butyrate Formula: C13H15O6- MolecularWeight: 267.2546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)O)CCC(C(=O)[O-])OC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6/c1-7(14)8-3-5-10(15)9(12(8)16)4-6-11(19-2)13(17)18/h3,5,11,15-16H,4,6H2,1-2H3,(H,17,18)/p-1/t11-/m1/s1