(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4-(difluoromethylsulfanyl)benzoate CAS Name: 4-(difluoromethylthio)benzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-(difluoromethylsulfanyl)benzoate Traditional Name: 4-(difluoromethylthio)benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C19H14F2O5S MolecularWeight: 392.373266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC=C(C=C3)SC(F)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC=C(C=C3)SC(F)F)O

InChI

InChI=1S/C19H14F2O5S/c1-10-15(22)7-6-14-12(8-16(23)26-17(10)14)9-25-18(24)11-2-4-13(5-3-11)27-19(20)21/h2-8,19,22H,9H2,1H3