4-butylsulfinyl-2-methyl-5-methylsulfonyl-benzoyl chloride

Systemtic Name: 4-butylsulfinyl-2-methyl-5-methylsulfonyl-benzoyl chloride Openeye Name: 4-butylsulfinyl-2-methyl-5-methylsulfonyl-benzoyl chloride CAS Name: 4-butylsulfinyl-2-methyl-5-methylsulfonylbenzoyl chloride IUPAC Name: 4-butylsulfinyl-2-methyl-5-methylsulfonylbenzoyl chloride Traditional Name: 4-butylsulfinyl-5-mesyl-2-methyl-benzoyl chloride Formula: C13H17ClO4S2 MolecularWeight: 336.85468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=C(C=C(C(=C1)C)C(=O)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCS(=O)C1=C(C=C(C(=C1)C)C(=O)Cl)S(=O)(=O)C

InChI

InChI=1S/C13H17ClO4S2/c1-4-5-6-19(16)11-7-9(2)10(13(14)15)8-12(11)20(3,17)18/h7-8H,4-6H2,1-3H3