2-[4-[bis(oxidanyl)methyl]-2-methyl-6-oxidanyl-phenyl]sulfonyl-3-iodanyl-propanenitrile

Systemtic Name: 2-[4-[bis(oxidanyl)methyl]-2-methyl-6-oxidanyl-phenyl]sulfonyl-3-iodanyl-propanenitrile Openeye Name: 2-[4-(dihydroxymethyl)-2-hydroxy-6-methyl-phenyl]sulfonyl-3-iodo-propanenitrile CAS Name: 2-[4-(dihydroxymethyl)-2-hydroxy-6-methylphenyl]sulfonyl-3-iodopropanenitrile IUPAC Name: 2-[4-(dihydroxymethyl)-2-hydroxy-6-methylphenyl]sulfonyl-3-iodopropanenitrile Traditional Name: 2-[4-(dihydroxymethyl)-2-hydroxy-6-methyl-phenyl]sulfonyl-3-iodo-propionitrile Formula: C11H12INO5S MolecularWeight: 397.18615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(O)O)O)S(=O)(=O)C(CI)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C(O)O)O)S(=O)(=O)C(CI)C#N

InChI

InChI=1S/C11H12INO5S/c1-6-2-7(11(15)16)3-9(14)10(6)19(17,18)8(4-12)5-13/h2-3,8,11,14-16H,4H2,1H3