3-chloranyl-1-[4-(trioxidanylsulfanyl)phenyl]propan-1-one

Systemtic Name: 3-chloranyl-1-[4-(trioxidanylsulfanyl)phenyl]propan-1-one Openeye Name: 3-chloro-1-[4-(trioxidanylsulfanyl)phenyl]propan-1-one CAS Name: 4-(3-chloro-1-oxopropyl)benzenesulfenic acid hydroperoxy ester IUPAC Name: 3-chloro-1-[4-(trioxidanylsulfanyl)phenyl]propan-1-one Traditional Name: 3-chloro-1-[4-(trioxidanylthio)phenyl]propan-1-one Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCl)SOOO

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCl)SOOO

InChI

InChI=1S/C9H9ClO4S/c10-6-5-9(11)7-1-3-8(4-2-7)15-14-13-12/h1-4,12H,5-6H2