5,6-bis(dioxidanylmethyl)-1-octyl-2-[tris(bromanyl)methylsulfonyl]benzimidazole

Systemtic Name: 5,6-bis(dioxidanylmethyl)-1-octyl-2-[tris(bromanyl)methylsulfonyl]benzimidazole Openeye Name: 5,6-bis(hydroperoxymethyl)-1-octyl-2-(tribromomethylsulfonyl)benzimidazole CAS Name: 5,6-bis(hydroperoxymethyl)-1-octyl-2-(tribromomethylsulfonyl)benzimidazole IUPAC Name: 5,6-bis(hydroperoxymethyl)-1-octyl-2-(tribromomethylsulfonyl)benzimidazole Traditional Name: 5,6-bis(hydroperoxymethyl)-1-octyl-2-(tribromomethylsulfonyl)benzimidazole Formula: C18H25Br3N2O6S MolecularWeight: 637.1779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=C(C(=C2)COO)COO)N=C1S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCCCCCCCN1C2=C(C=C(C(=C2)COO)COO)N=C1S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C18H25Br3N2O6S/c1-2-3-4-5-6-7-8-23-16-10-14(12-29-25)13(11-28-24)9-15(16)22-17(23)30(26,27)18(19,20)21/h9-10,24-25H,2-8,11-12H2,1H3