2-[3-butanoyl-4-methoxy-2,6-bis(oxidanyl)phenyl]ethanoate

Systemtic Name: 2-[3-butanoyl-4-methoxy-2,6-bis(oxidanyl)phenyl]ethanoate Openeye Name: 2-(3-butanoyl-2,6-dihydroxy-4-methoxy-phenyl)acetate CAS Name: 2-[2,6-dihydroxy-4-methoxy-3-(1-oxobutyl)phenyl]acetate IUPAC Name: 2-(3-butanoyl-2,6-dihydroxy-4-methoxyphenyl)acetate Traditional Name: 2-(3-butyryl-2,6-dihydroxy-4-methoxy-phenyl)acetate Formula: C13H15O6- MolecularWeight: 267.2546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1OC)O)CC(=O)[O-])O

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1OC)O)CC(=O)[O-])O

InChI

InChI=1S/C13H16O6/c1-3-4-8(14)12-10(19-2)6-9(15)7(13(12)18)5-11(16)17/h6,15,18H,3-5H2,1-2H3,(H,16,17)/p-1