2-(2-iodanylethylsulfonyl)-3-methyl-5-(trioxidanylsulfanyl)benzenecarbonitrile

Systemtic Name: 2-(2-iodanylethylsulfonyl)-3-methyl-5-(trioxidanylsulfanyl)benzenecarbonitrile Openeye Name: 2-(2-iodoethylsulfonyl)-3-methyl-5-(trioxidanylsulfanyl)benzonitrile CAS Name: 3-cyano-4-(2-iodoethylsulfonyl)-5-methylbenzenesulfenic acid hydroperoxy ester IUPAC Name: 2-(2-iodoethylsulfonyl)-3-methyl-5-(trioxidanylsulfanyl)benzonitrile Traditional Name: 2-(2-iodoethylsulfonyl)-3-methyl-5-(trioxidanylthio)benzonitrile Formula: C10H10INO5S2 MolecularWeight: 415.22457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)SOOO)C#N)S(=O)(=O)CCI

Isomeric SMILES

CC1=C(C(=CC(=C1)SOOO)C#N)S(=O)(=O)CCI

InChI

InChI=1S/C10H10INO5S2/c1-7-4-9(18-17-16-13)5-8(6-12)10(7)19(14,15)3-2-11/h4-5,13H,2-3H2,1H3