2-[2-(4-methoxy-3-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)phenyl]butanoic acid

Systemtic Name: 2-[2-(4-methoxy-3-oxidanyl-phenyl)carbonyl-3,5-bis(oxidanyl)phenyl]butanoic acid Openeye Name: 2-[3,5-dihydroxy-2-(3-hydroxy-4-methoxy-benzoyl)phenyl]butanoic acid CAS Name: 2-[3,5-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)-oxomethyl]phenyl]butanoic acid IUPAC Name: 2-[3,5-dihydroxy-2-(3-hydroxy-4-methoxybenzoyl)phenyl]butanoic acid Traditional Name: 2-(3,5-dihydroxy-2-isovanilloyl-phenyl)butyric acid Formula: C18H18O7 MolecularWeight: 346.33132

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18O7/c1-3-11(18(23)24)12-7-10(19)8-14(21)16(12)17(22)9-4-5-15(25-2)13(20)6-9/h4-8,11,19-21H,3H2,1-2H3,(H,23,24)