(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20F2O6S MolecularWeight: 450.452406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C(C)C

InChI

InChI=1S/C22H20F2O6S/c1-12(2)17-10-18-15(9-20(25)30-19(18)8-13(17)3)11-29-21(26)14-4-6-16(7-5-14)31(27,28)22(23)24/h4-10,12,22H,11H2,1-3H3