4-[2-[4-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-chloranyl-5-fluoranyl-phenyl]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[4-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-chloranyl-5-fluoranyl-phenyl]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[2-chloro-4-[2-(3,4-dihydroxyphenyl)ethyl]-5-fluoro-phenyl]ethyl]benzene-1,2-diol CAS Name: 4-[2-[2-chloro-4-[2-(3,4-dihydroxyphenyl)ethyl]-5-fluorophenyl]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[2-chloro-4-[2-(3,4-dihydroxyphenyl)ethyl]-5-fluorophenyl]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[2-chloro-4-[2-(3,4-dihydroxyphenyl)ethyl]-5-fluoro-phenyl]ethyl]pyrocatechol Formula: C22H20ClFO4 MolecularWeight: 402.843203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC2=CC(=C(C=C2Cl)CCC3=CC(=C(C=C3)O)O)F)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC2=CC(=C(C=C2Cl)CCC3=CC(=C(C=C3)O)O)F)O)O

InChI

InChI=1S/C22H20ClFO4/c23-17-11-16(6-2-14-4-8-20(26)22(28)10-14)18(24)12-15(17)5-1-13-3-7-19(25)21(27)9-13/h3-4,7-12,25-28H,1-2,5-6H2