(2S,4S)-4-[3-ethanoyl-5-methyl-2,6-bis(oxidanyl)phenyl]-2-methoxy-4-oxidanyl-butanoic acid

Systemtic Name: (2S,4S)-4-[3-ethanoyl-5-methyl-2,6-bis(oxidanyl)phenyl]-2-methoxy-4-oxidanyl-butanoic acid Openeye Name: (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methyl-phenyl)-4-hydroxy-2-methoxy-butanoic acid CAS Name: (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-4-hydroxy-2-methoxybutanoic acid IUPAC Name: (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methylphenyl)-4-hydroxy-2-methoxybutanoic acid Traditional Name: (2S,4S)-4-(3-acetyl-2,6-dihydroxy-5-methyl-phenyl)-4-hydroxy-2-methoxy-butyric acid Formula: C14H18O7 MolecularWeight: 298.28852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O7/c1-6-4-8(7(2)15)13(18)11(12(6)17)9(16)5-10(21-3)14(19)20/h4,9-10,16-18H,5H2,1-3H3,(H,19,20)/t9-,10-/m0/s1