3-[5-[1-[2,4-bis(oxidanyl)phenyl]-5,6-bis(chloranyl)-3-oxidanylidene-2-benzofuran-1-yl]-3-chloranyl-2,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 3-[5-[1-[2,4-bis(oxidanyl)phenyl]-5,6-bis(chloranyl)-3-oxidanylidene-2-benzofuran-1-yl]-3-chloranyl-2,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 3-[3-chloro-5-[5,6-dichloro-1-(2,4-dihydroxyphenyl)-3-oxo-isobenzofuran-1-yl]-2,4-dihydroxy-phenyl]propanoic acid CAS Name: 3-[3-chloro-5-[5,6-dichloro-1-(2,4-dihydroxyphenyl)-3-oxo-1-isobenzofuranyl]-2,4-dihydroxyphenyl]propanoic acid IUPAC Name: 3-[3-chloro-5-[5,6-dichloro-1-(2,4-dihydroxyphenyl)-3-oxo-2-benzofuran-1-yl]-2,4-dihydroxyphenyl]propanoic acid Traditional Name: 3-[3-chloro-5-[5,6-dichloro-1-(2,4-dihydroxyphenyl)-3-keto-phthalan-1-yl]-2,4-dihydroxy-phenyl]propionic acid Formula: C23H15Cl3O8 MolecularWeight: 525.7194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)C2(C3=CC(=C(C=C3C(=O)O2)Cl)Cl)C4=CC(=C(C(=C4O)Cl)O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1O)O)C2(C3=CC(=C(C=C3C(=O)O2)Cl)Cl)C4=CC(=C(C(=C4O)Cl)O)CCC(=O)O

InChI

InChI=1S/C23H15Cl3O8/c24-15-7-11-13(8-16(15)25)23(34-22(11)33,12-3-2-10(27)6-17(12)28)14-5-9(1-4-18(29)30)20(31)19(26)21(14)32/h2-3,5-8,27-28,31-32H,1,4H2,(H,29,30)