(3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H17ClO5S MolecularWeight: 332.79978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C14H17ClO5S/c1-14(2,3)12(16)8-20-13(17)10-7-9(21(4,18)19)5-6-11(10)15/h5-7H,8H2,1-4H3