[4-chloranyl-6-methoxy-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinolin-8-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-chloranyl-6-methoxy-2-(4-methoxyphenyl)-1-oxidanylidene-isoquinolin-8-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-chloro-6-methoxy-2-(4-methoxyphenyl)-1-oxo-8-isoquinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-chloro-6-methoxy-2-(4-methoxyphenyl)-1-oxo-8-isoquinolinyl] ester IUPAC Name: [4-chloro-6-methoxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-8-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-chloro-1-keto-6-methoxy-2-(4-methoxyphenyl)-8-isoquinolyl] ester Formula: C18H13ClF3NO6S MolecularWeight: 463.81213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC(=CC(=C3C2=O)OS(=O)(=O)C(F)(F)F)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC(=CC(=C3C2=O)OS(=O)(=O)C(F)(F)F)OC)Cl

InChI

InChI=1S/C18H13ClF3NO6S/c1-27-11-5-3-10(4-6-11)23-9-14(19)13-7-12(28-2)8-15(16(13)17(23)24)29-30(25,26)18(20,21)22/h3-9H,1-2H3