2-ethyl-5-methylsulfonyl-4-propan-2-ylsulfonyl-benzoyl chloride

Systemtic Name: 2-ethyl-5-methylsulfonyl-4-propan-2-ylsulfonyl-benzoyl chloride Openeye Name: 2-ethyl-4-isopropylsulfonyl-5-methylsulfonyl-benzoyl chloride CAS Name: 2-ethyl-5-methylsulfonyl-4-propan-2-ylsulfonylbenzoyl chloride IUPAC Name: 2-ethyl-5-methylsulfonyl-4-propan-2-ylsulfonylbenzoyl chloride Traditional Name: 2-ethyl-4-isopropylsulfonyl-5-mesyl-benzoyl chloride Formula: C13H17ClO5S2 MolecularWeight: 352.85408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO5S2/c1-5-9-6-12(21(18,19)8(2)3)11(20(4,16)17)7-10(9)13(14)15/h6-8H,5H2,1-4H3