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

Systemtic Name: 3-bromanyl-1-[3-methyl-4-(trioxidanylsulfanyl)phenyl]propan-1-one Openeye Name: 3-bromo-1-[3-methyl-4-(trioxidanylsulfanyl)phenyl]propan-1-one CAS Name: 4-(3-bromo-1-oxopropyl)-2-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 3-bromo-1-[3-methyl-4-(trioxidanylsulfanyl)phenyl]propan-1-one Traditional Name: 3-bromo-1-[3-methyl-4-(trioxidanylthio)phenyl]propan-1-one Formula: C10H11BrO4S MolecularWeight: 307.16094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CCBr)SOOO

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CCBr)SOOO

InChI

InChI=1S/C10H11BrO4S/c1-7-6-8(9(12)4-5-11)2-3-10(7)16-15-14-13/h2-3,6,13H,4-5H2,1H3