2-methyl-5-(2-oxidanyl-4-oxidanylidene-3-propanoyl-cyclohex-2-en-1-yl)benzenesulfonyl chloride

Systemtic Name: 2-methyl-5-(2-oxidanyl-4-oxidanylidene-3-propanoyl-cyclohex-2-en-1-yl)benzenesulfonyl chloride Openeye Name: 5-(2-hydroxy-4-oxo-3-propanoyl-cyclohex-2-en-1-yl)-2-methyl-benzenesulfonyl chloride CAS Name: 5-[2-hydroxy-4-oxo-3-(1-oxopropyl)-1-cyclohex-2-enyl]-2-methylbenzenesulfonyl chloride IUPAC Name: 5-(2-hydroxy-4-oxo-3-propanoylcyclohex-2-en-1-yl)-2-methylbenzenesulfonyl chloride Traditional Name: 5-(2-hydroxy-4-keto-3-propionyl-cyclohex-2-en-1-yl)-2-methyl-benzenesulfonyl chloride Formula: C16H17ClO5S MolecularWeight: 356.82118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)C)S(=O)(=O)Cl)O

Isomeric SMILES

CCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)C)S(=O)(=O)Cl)O

InChI

InChI=1S/C16H17ClO5S/c1-3-12(18)15-13(19)7-6-11(16(15)20)10-5-4-9(2)14(8-10)23(17,21)22/h4-5,8,11,20H,3,6-7H2,1-2H3