methyl 2-[2-ethanoyl-3,5-bis(oxidanyl)phenyl]ethanoate

Systemtic Name: methyl 2-[2-ethanoyl-3,5-bis(oxidanyl)phenyl]ethanoate Openeye Name: methyl 2-(2-acetyl-3,5-dihydroxy-phenyl)acetate CAS Name: 2-[3,5-dihydroxy-2-(1-oxoethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate Traditional Name: 2-(2-acetyl-3,5-dihydroxy-phenyl)acetic acid methyl ester Formula: C11H12O5 MolecularWeight: 226.19529

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1CC(=O)OC)O)O

Isomeric SMILES

COC(=O)CC1=CC(=CC(=C1[13C](=O)[13CH3])O)O

InChI

InChI=1S/C11H12O5/c1-6(12)11-7(4-10(15)16-2)3-8(13)5-9(11)14/h3,5,13-14H,4H2,1-2H3/i1+1,6+1