[3-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-quinazolin-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-quinazolin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-quinazolin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-5-quinazolinyl] ester IUPAC Name: [7-hydroxy-3-(4-hydroxyphenyl)-4-oxoquinazolin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [7-hydroxy-3-(4-hydroxyphenyl)-4-keto-quinazolin-5-yl] ester Formula: C15H9F3N2O6S MolecularWeight: 402.30197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC3=CC(=CC(=C3C2=O)OS(=O)(=O)C(F)(F)F)O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=NC3=CC(=CC(=C3C2=O)OS(=O)(=O)C(F)(F)F)O)O

InChI

InChI=1S/C15H9F3N2O6S/c16-15(17,18)27(24,25)26-12-6-10(22)5-11-13(12)14(23)20(7-19-11)8-1-3-9(21)4-2-8/h1-7,21-22H