4-chloranyl-1-[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl]butane-1,2-dione

Systemtic Name: 4-chloranyl-1-[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl]butane-1,2-dione Openeye Name: 4-chloro-1-[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl]butane-1,2-dione CAS Name: 4-(4-chloro-1,2-dioxobutyl)-2,6-dimethylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 4-chloro-1-[3,5-dimethyl-4-(trioxidanylsulfanyl)phenyl]butane-1,2-dione Traditional Name: 4-chloro-1-[3,5-dimethyl-4-(trioxidanylthio)phenyl]butane-1,2-dione Formula: C12H13ClO5S MolecularWeight: 304.74662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SOOO)C)C(=O)C(=O)CCCl

Isomeric SMILES

CC1=CC(=CC(=C1SOOO)C)C(=O)C(=O)CCCl

InChI

InChI=1S/C12H13ClO5S/c1-7-5-9(11(15)10(14)3-4-13)6-8(2)12(7)19-18-17-16/h5-6,16H,3-4H2,1-2H3