3-[1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-2-oxidanylidene-pyridin-4-yl]propyl methanesulfonate

Systemtic Name: 3-[1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-2-oxidanylidene-pyridin-4-yl]propyl methanesulfonate Openeye Name: 3-[1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-2-oxo-4-pyridyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[1-[2,2-dimethyl-6-(trifluoromethyl)-1-benzopyran-4-yl]-2-oxo-4-pyridinyl]propyl ester IUPAC Name: 3-[1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-2-oxopyridin-4-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]-2-keto-4-pyridyl]propyl ester Formula: C21H22F3NO5S MolecularWeight: 457.46329

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)C(F)(F)F)N3C=CC(=CC3=O)CCCOS(=O)(=O)C)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)C(F)(F)F)N3C=CC(=CC3=O)CCCOS(=O)(=O)C)C

InChI

InChI=1S/C21H22F3NO5S/c1-20(2)13-17(16-12-15(21(22,23)24)6-7-18(16)30-20)25-9-8-14(11-19(25)26)5-4-10-29-31(3,27)28/h6-9,11-13H,4-5,10H2,1-3H3