[9-(4-methoxy-2-methyl-phenyl)-6-oxidanylidene-xanthen-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [9-(4-methoxy-2-methyl-phenyl)-6-oxidanylidene-xanthen-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [9-(4-methoxy-2-methyl-phenyl)-6-oxo-xanthen-3-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [9-(4-methoxy-2-methylphenyl)-6-oxo-3-xanthenyl] ester IUPAC Name: [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-keto-9-(4-methoxy-2-methyl-phenyl)xanthen-3-yl] ester Formula: C22H15F3O6S MolecularWeight: 464.41111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H15F3O6S/c1-12-9-14(29-2)4-7-16(12)21-17-6-3-13(26)10-19(17)30-20-11-15(5-8-18(20)21)31-32(27,28)22(23,24)25/h3-11H,1-2H3