[2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 2-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: [2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 2-(trifluoromethyloxy)benzenesulfonate Openeye Name: [2,6-dimethyl-4-(3-methyl-4-oxo-phthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate CAS Name: 2-(trifluoromethoxy)benzenesulfonic acid [2,6-dimethyl-4-(3-methyl-4-oxo-1-phthalazinyl)phenyl] ester IUPAC Name: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate Traditional Name: 2-(trifluoromethoxy)benzenesulfonic acid [4-(4-keto-3-methyl-phthalazin-1-yl)-2,6-dimethyl-phenyl] ester Formula: C24H19F3N2O5S MolecularWeight: 504.47827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C24H19F3N2O5S/c1-14-12-16(21-17-8-4-5-9-18(17)23(30)29(3)28-21)13-15(2)22(14)34-35(31,32)20-11-7-6-10-19(20)33-24(25,26)27/h4-13H,1-3H3