1-[bis(iodanyl)methylsulfonyl]-4-butyl-2-chloranyl-benzene

Systemtic Name: 1-[bis(iodanyl)methylsulfonyl]-4-butyl-2-chloranyl-benzene Openeye Name: 4-butyl-2-chloro-1-(diiodomethylsulfonyl)benzene CAS Name: 4-butyl-2-chloro-1-(diiodomethylsulfonyl)benzene IUPAC Name: 4-butyl-2-chloro-1-(diiodomethylsulfonyl)benzene Traditional Name: 4-butyl-2-chloro-1-(diiodomethylsulfonyl)benzene Formula: C11H13ClI2O2S MolecularWeight: 498.54666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)S(=O)(=O)C(I)I)Cl

Isomeric SMILES

CCCCC1=CC(=C(C=C1)S(=O)(=O)C(I)I)Cl

InChI

InChI=1S/C11H13ClI2O2S/c1-2-3-4-8-5-6-10(9(12)7-8)17(15,16)11(13)14/h5-7,11H,2-4H2,1H3