4-cyclopropylsulfonyl-2-ethyl-5-methylsulfonyl-benzoyl chloride

Systemtic Name: 4-cyclopropylsulfonyl-2-ethyl-5-methylsulfonyl-benzoyl chloride Openeye Name: 4-cyclopropylsulfonyl-2-ethyl-5-methylsulfonyl-benzoyl chloride CAS Name: 4-cyclopropylsulfonyl-2-ethyl-5-methylsulfonylbenzoyl chloride IUPAC Name: 4-cyclopropylsulfonyl-2-ethyl-5-methylsulfonylbenzoyl chloride Traditional Name: 4-cyclopropylsulfonyl-2-ethyl-5-mesyl-benzoyl chloride Formula: C13H15ClO5S2 MolecularWeight: 350.8382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)S(=O)(=O)C2CC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)C)S(=O)(=O)C2CC2

InChI

InChI=1S/C13H15ClO5S2/c1-3-8-6-12(21(18,19)9-4-5-9)11(20(2,16)17)7-10(8)13(14)15/h6-7,9H,3-5H2,1-2H3