5-[3,4-bis(oxidanyl)phenyl]-2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3,4-bis(oxidanyl)phenyl]-2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-oxidanylidene-pentanoic acid Openeye Name: 5-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)methyl]-3-oxo-pentanoic acid CAS Name: 5-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)methyl]-3-oxopentanoic acid IUPAC Name: 5-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)methyl]-3-oxopentanoic acid Traditional Name: 5-(3,4-dihydroxyphenyl)-3-keto-2-protocatechuyl-valeric acid Formula: C18H18O7 MolecularWeight: 346.33132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)C(CC2=CC(=C(C=C2)O)O)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)C(CC2=CC(=C(C=C2)O)O)C(=O)O)O)O

InChI

InChI=1S/C18H18O7/c19-13(4-1-10-2-5-14(20)16(22)8-10)12(18(24)25)7-11-3-6-15(21)17(23)9-11/h2-3,5-6,8-9,12,20-23H,1,4,7H2,(H,24,25)