[bis(bromanyl)-phenyl-methyl] 3-(dioxidanylmethyl)benzenesulfinate

Systemtic Name: [bis(bromanyl)-phenyl-methyl] 3-(dioxidanylmethyl)benzenesulfinate Openeye Name: [dibromo(phenyl)methyl] 3-(hydroperoxymethyl)benzenesulfinate CAS Name: 3-(hydroperoxymethyl)benzenesulfinic acid [dibromo(phenyl)methyl] ester IUPAC Name: [dibromo(phenyl)methyl] 3-(hydroperoxymethyl)benzenesulfinate Traditional Name: 3-(hydroperoxymethyl)benzenesulfinic acid [dibromo(phenyl)methyl] ester Formula: C14H12Br2O4S MolecularWeight: 436.11568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(OS(=O)C2=CC=CC(=C2)COO)(Br)Br

Isomeric SMILES

C1=CC=C(C=C1)C(OS(=O)C2=CC=CC(=C2)COO)(Br)Br

InChI

InChI=1S/C14H12Br2O4S/c15-14(16,12-6-2-1-3-7-12)20-21(18)13-8-4-5-11(9-13)10-19-17/h1-9,17H,10H2