(2S,3S)-2-methyl-3-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-2-oxidanyl-butanoic acid

Systemtic Name: (2S,3S)-2-methyl-3-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-2-oxidanyl-butanoic acid Openeye Name: (2S,3S)-3-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-2-methyl-butanoic acid CAS Name: (2S,3S)-3-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-2-methylbutanoic acid IUPAC Name: (2S,3S)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-2-methylbutanoic acid Traditional Name: (2S,3S)-3-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-2-methyl-butyric acid Formula: C13H16O7 MolecularWeight: 284.26194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OC(C)C(C)(C(=O)O)O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O[C@@H](C)[C@@](C)(C(=O)O)O)O)O

InChI

InChI=1S/C13H16O7/c1-6-4-8(14)5-9(15)10(6)11(16)20-7(2)13(3,19)12(17)18/h4-5,7,14-15,19H,1-3H3,(H,17,18)/t7-,13-/m0/s1