sodium 2-(2-iodanylethylsulfonyl)-3-methyl-5-oxidanidylperoxysulfanyl-benzenecarbonitrile

Systemtic Name: sodium 2-(2-iodanylethylsulfonyl)-3-methyl-5-oxidanidylperoxysulfanyl-benzenecarbonitrile Openeye Name: sodium 2-(2-iodoethylsulfonyl)-3-methyl-5-oxidoperoxysulfanyl-benzonitrile CAS Name: sodium 3-cyano-4-(2-iodoethylsulfonyl)-5-methylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium 2-(2-iodoethylsulfonyl)-3-methyl-5-oxidoperoxysulfanylbenzonitrile Traditional Name: sodium 2-(2-iodoethylsulfonyl)-3-methyl-5-(oxidoperoxythio)benzonitrile Formula: C10H9INNaO5S2 MolecularWeight: 437.2064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)SOO[O-])C#N)S(=O)(=O)CCI.[Na+]

Isomeric SMILES

CC1=C(C(=CC(=C1)SOO[O-])C#N)S(=O)(=O)CCI.[Na+]

InChI

InChI=1S/C10H10INO5S2.Na/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;/q;+1/p-1