[4-(4-chloranyl-2-fluoranyl-phenoxy)-6-methoxy-quinazolin-7-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-chloranyl-2-fluoranyl-phenoxy)-6-methoxy-quinazolin-7-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-chloro-2-fluoro-phenoxy)-6-methoxy-quinazolin-7-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(4-chloro-2-fluorophenoxy)-6-methoxy-7-quinazolinyl] ester IUPAC Name: [4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazolin-7-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-chloro-2-fluoro-phenoxy)-6-methoxy-quinazolin-7-yl] ester Formula: C16H9ClF4N2O5S MolecularWeight: 452.764673

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=C(C=C(C=C3)Cl)F)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=C(C=C(C=C3)Cl)F)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H9ClF4N2O5S/c1-26-13-5-9-11(6-14(13)28-29(24,25)16(19,20)21)22-7-23-15(9)27-12-3-2-8(17)4-10(12)18/h2-7H,1H3