(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-chloranyl-4,5-bis(fluoranyl)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic 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 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H17ClF2O4 MolecularWeight: 406.807086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3Cl)F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3Cl)F)F)C(C)C

InChI

InChI=1S/C21H17ClF2O4/c1-10(2)13-6-14-12(5-20(25)28-19(14)4-11(13)3)9-27-21(26)15-7-17(23)18(24)8-16(15)22/h4-8,10H,9H2,1-3H3