3-bromanyl-2-[4-(dioxidanylmethyl)-2-methyl-6-oxidanyl-phenyl]sulfonyl-propanenitrile

Systemtic Name: 3-bromanyl-2-[4-(dioxidanylmethyl)-2-methyl-6-oxidanyl-phenyl]sulfonyl-propanenitrile Openeye Name: 3-bromo-2-[4-(hydroperoxymethyl)-2-hydroxy-6-methyl-phenyl]sulfonyl-propanenitrile CAS Name: 3-bromo-2-[4-(hydroperoxymethyl)-2-hydroxy-6-methylphenyl]sulfonylpropanenitrile IUPAC Name: 3-bromo-2-[4-(hydroperoxymethyl)-2-hydroxy-6-methylphenyl]sulfonylpropanenitrile Traditional Name: 3-bromo-2-[4-(hydroperoxymethyl)-2-hydroxy-6-methyl-phenyl]sulfonyl-propionitrile Formula: C11H12BrNO5S MolecularWeight: 350.18568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)COO)O)S(=O)(=O)C(CBr)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)COO)O)S(=O)(=O)C(CBr)C#N

InChI

InChI=1S/C11H12BrNO5S/c1-7-2-8(6-18-15)3-10(14)11(7)19(16,17)9(4-12)5-13/h2-3,9,14-15H,4,6H2,1H3