2-oxidanylidenepentyl 3-chloranyl-4-methyl-benzenesulfonate

Systemtic Name: 2-oxidanylidenepentyl 3-chloranyl-4-methyl-benzenesulfonate Openeye Name: 2-oxopentyl 3-chloro-4-methyl-benzenesulfonate CAS Name: 3-chloro-4-methylbenzenesulfonic acid 2-oxopentyl ester IUPAC Name: 2-oxopentyl 3-chloro-4-methylbenzenesulfonate Traditional Name: 3-chloro-4-methyl-benzenesulfonic acid 2-ketopentyl ester Formula: C12H15ClO4S MolecularWeight: 290.7631

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)COS(=O)(=O)C1=CC(=C(C=C1)C)Cl

Isomeric SMILES

CCCC(=O)COS(=O)(=O)C1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C12H15ClO4S/c1-3-4-10(14)8-17-18(15,16)11-6-5-9(2)12(13)7-11/h5-7H,3-4,8H2,1-2H3