(2-cyclopropylcarbonyl-3,3-dimethyl-butanoyl) 2-fluoranyl-4-methylsulfonyl-benzoate

Systemtic Name: (2-cyclopropylcarbonyl-3,3-dimethyl-butanoyl) 2-fluoranyl-4-methylsulfonyl-benzoate Openeye Name: [2-(cyclopropanecarbonyl)-3,3-dimethyl-butanoyl] 2-fluoro-4-methylsulfonyl-benzoate CAS Name: 2-fluoro-4-methylsulfonylbenzoic acid [2-[cyclopropyl(oxo)methyl]-3,3-dimethyl-1-oxobutyl] ester IUPAC Name: [2-(cyclopropanecarbonyl)-3,3-dimethylbutanoyl] 2-fluoro-4-methylsulfonylbenzoate Traditional Name: 2-fluoro-4-mesyl-benzoic acid [2-(cyclopropanecarbonyl)-3,3-dimethyl-butanoyl] ester Formula: C18H21FO6S MolecularWeight: 384.419143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C1CC1)C(=O)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)C(C(=O)C1CC1)C(=O)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)F

InChI

InChI=1S/C18H21FO6S/c1-18(2,3)14(15(20)10-5-6-10)17(22)25-16(21)12-8-7-11(9-13(12)19)26(4,23)24/h7-10,14H,5-6H2,1-4H3