methyl 2-[2-(4-methoxy-3-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)phenyl]butanoate

Systemtic Name: methyl 2-[2-(4-methoxy-3-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)phenyl]butanoate Openeye Name: methyl 2-[3,5-dihydroxy-2-(3-hydroxy-4-methoxy-benzoyl)phenyl]butanoate CAS Name: 2-[3,5-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)-oxomethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 2-[3,5-dihydroxy-2-(3-hydroxy-4-methoxybenzoyl)phenyl]butanoate Traditional Name: 2-(3,5-dihydroxy-2-isovanilloyl-phenyl)butyric acid methyl ester Formula: C19H20O7 MolecularWeight: 360.3579

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC(=C1C(=O)C2=CC(=C(C=C2)OC)O)O)O)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=CC(=C1C(=O)C2=CC(=C(C=C2)OC)O)O)O)C(=O)OC

InChI

InChI=1S/C19H20O7/c1-4-12(19(24)26-3)13-8-11(20)9-15(22)17(13)18(23)10-5-6-16(25-2)14(21)7-10/h5-9,12,20-22H,4H2,1-3H3