2-methyl-1,3-bis(trifluoromethyl)-5-(trioxidanylsulfanyl)benzene

Systemtic Name: 2-methyl-1,3-bis(trifluoromethyl)-5-(trioxidanylsulfanyl)benzene Openeye Name: 2-methyl-1,3-bis(trifluoromethyl)-5-(trioxidanylsulfanyl)benzene CAS Name: 4-methyl-3,5-bis(trifluoromethyl)benzenesulfenic acid hydroperoxy ester IUPAC Name: 2-methyl-1,3-bis(trifluoromethyl)-5-(trioxidanylsulfanyl)benzene Traditional Name: 2-methyl-1,3-bis(trifluoromethyl)-5-(trioxidanylthio)benzene Formula: C9H6F6O3S MolecularWeight: 308.197559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(F)(F)F)SOOO)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1C(F)(F)F)SOOO)C(F)(F)F

InChI

InChI=1S/C9H6F6O3S/c1-4-6(8(10,11)12)2-5(19-18-17-16)3-7(4)9(13,14)15/h2-3,16H,1H3