1-octyl-2-[tris(bromanyl)methylsulfonyl]benzimidazole-5,6-dicarboxylic acid

Systemtic Name: 1-octyl-2-[tris(bromanyl)methylsulfonyl]benzimidazole-5,6-dicarboxylic acid Openeye Name: 1-octyl-2-(tribromomethylsulfonyl)benzimidazole-5,6-dicarboxylic acid CAS Name: 1-octyl-2-(tribromomethylsulfonyl)benzimidazole-5,6-dicarboxylic acid IUPAC Name: 1-octyl-2-(tribromomethylsulfonyl)benzimidazole-5,6-dicarboxylic acid Traditional Name: 1-octyl-2-(tribromomethylsulfonyl)benzimidazole-5,6-dicarboxylic acid Formula: C18H21Br3N2O6S MolecularWeight: 633.14614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Br3N2O6S/c1-2-3-4-5-6-7-8-23-14-10-12(16(26)27)11(15(24)25)9-13(14)22-17(23)30(28,29)18(19,20)21/h9-10H,2-8H2,1H3,(H,24,25)(H,26,27)