tert-butyl 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-3-oxidanylidene-pentanoate Openeye Name: tert-butyl 2-(2-chloro-4-methylsulfonyl-benzoyl)-3-oxo-pentanoate CAS Name: 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-3-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-4-methylsulfonylbenzoyl)-3-oxopentanoate Traditional Name: 2-(2-chloro-4-mesyl-benzoyl)-3-keto-valeric acid tert-butyl ester Formula: C17H21ClO6S MolecularWeight: 388.86304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)C(C(=O)C1=C(C=C(C=C1)S(=O)(=O)C)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21ClO6S/c1-6-13(19)14(16(21)24-17(2,3)4)15(20)11-8-7-10(9-12(11)18)25(5,22)23/h7-9,14H,6H2,1-5H3