2-(4-hydroxyphenyl)-6,8-bis(oxidanyl)-5-(trifluoromethylsulfonyl)isoquinolin-1-one

Systemtic Name: 2-(4-hydroxyphenyl)-6,8-bis(oxidanyl)-5-(trifluoromethylsulfonyl)isoquinolin-1-one Openeye Name: 6,8-dihydroxy-2-(4-hydroxyphenyl)-5-(trifluoromethylsulfonyl)isoquinolin-1-one CAS Name: 6,8-dihydroxy-2-(4-hydroxyphenyl)-5-(trifluoromethylsulfonyl)-1-isoquinolinone IUPAC Name: 6,8-dihydroxy-2-(4-hydroxyphenyl)-5-(trifluoromethylsulfonyl)isoquinolin-1-one Traditional Name: 6,8-dihydroxy-2-(4-hydroxyphenyl)-5-triflyl-isocarbostyril Formula: C16H10F3NO6S MolecularWeight: 401.31391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CC3=C(C2=O)C(=CC(=C3S(=O)(=O)C(F)(F)F)O)O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=CC3=C(C2=O)C(=CC(=C3S(=O)(=O)C(F)(F)F)O)O)O

InChI

InChI=1S/C16H10F3NO6S/c17-16(18,19)27(25,26)14-10-5-6-20(8-1-3-9(21)4-2-8)15(24)13(10)11(22)7-12(14)23/h1-7,21-23H