[4-(dioxidanylmethyl)-2-methyl-phenyl] 2-bromanylbutane-1-sulfonate

Systemtic Name: [4-(dioxidanylmethyl)-2-methyl-phenyl] 2-bromanylbutane-1-sulfonate Openeye Name: [4-(hydroperoxymethyl)-2-methyl-phenyl] 2-bromobutane-1-sulfonate CAS Name: 2-bromo-1-butanesulfonic acid IUPAC Name: [4-(hydroperoxymethyl)-2-methylphenyl] 2-bromobutane-1-sulfonate Traditional Name: 2-bromobutane-1-sulfonic acid [4-(hydroperoxymethyl)-2-methyl-phenyl] ester Formula: C12H17BrO5S MolecularWeight: 353.22938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=O)(=O)OC1=C(C=C(C=C1)COO)C)Br

Isomeric SMILES

CCC(CS(=O)(=O)OC1=C(C=C(C=C1)COO)C)Br

InChI

InChI=1S/C12H17BrO5S/c1-3-11(13)8-19(15,16)18-12-5-4-10(7-17-14)6-9(12)2/h4-6,11,14H,3,7-8H2,1-2H3