[3-(4-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] methanesulfonate

Systemtic Name: [3-(4-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] methanesulfonate Openeye Name: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-keto-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C18H13F3O6S MolecularWeight: 414.35243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C18H13F3O6S/c1-25-11-5-3-10(4-6-11)15-16(22)13-8-7-12(27-28(2,23)24)9-14(13)26-17(15)18(19,20)21/h3-9H,1-2H3