(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H16F2O6S MolecularWeight: 422.399246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)C

InChI

InChI=1S/C20H16F2O6S/c1-11-3-8-16-14(9-17(23)28-18(16)12(11)2)10-27-19(24)13-4-6-15(7-5-13)29(25,26)20(21)22/h3-9,20H,10H2,1-2H3