decyl 2-[2-[[1-(2-decoxy-2-oxidanylidene-ethyl)-3-methyl-benzimidazol-3-ium-2-yl]methylsulfanylmethylsulfanylmethyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate dichloride

Systemtic Name: decyl 2-[2-[[1-(2-decoxy-2-oxidanylidene-ethyl)-3-methyl-benzimidazol-3-ium-2-yl]methylsulfanylmethylsulfanylmethyl]-3-methyl-benzimidazol-3-ium-1-yl]ethanoate dichloride Openeye Name: decyl 2-[2-[[1-(2-decoxy-2-oxo-ethyl)-3-methyl-benzimidazol-3-ium-2-yl]methylsulfanylmethylsulfanylmethyl]-3-methyl-benzimidazol-3-ium-1-yl]acetate dichloride CAS Name: 2-[2-[[[[1-(2-decoxy-2-oxoethyl)-3-methyl-2-benzimidazol-3-iumyl]methylthio]methylthio]methyl]-3-methyl-1-benzimidazol-3-iumyl]acetic acid decyl ester dichloride IUPAC Name: decyl 2-[2-[[1-(2-decoxy-2-oxoethyl)-3-methylbenzimidazol-3-ium-2-yl]methylsulfanylmethylsulfanylmethyl]-3-methylbenzimidazol-3-ium-1-yl]acetate dichloride Traditional Name: 2-[2-[[[[1-(2-decoxy-2-keto-ethyl)-3-methyl-benzimidazol-3-ium-2-yl]methylthio]methylthio]methyl]-3-methyl-benzimidazol-3-ium-1-yl]acetic acid decyl ester dichloride Formula: C43H66Cl2N4O4S2 MolecularWeight: 838.04454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1CSCSCC3=[N+](C4=CC=CC=C4N3CC(=O)OCCCCCCCCCC)C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1CSCSCC3=[N+](C4=CC=CC=C4N3CC(=O)OCCCCCCCCCC)C)C.[Cl-].[Cl-]

InChI

InChI=1S/C43H66N4O4S2.2ClH/c1-5-7-9-11-13-15-17-23-29-50-42(48)31-46-38-27-21-19-25-36(38)44(3)40(46)33-52-35-53-34-41-45(4)37-26-20-22-28-39(37)47(41)32-43(49)51-30-24-18-16-14-12-10-8-6-2;;/h19-22,25-28H,5-18,23-24,29-35H2,1-4H3;2*1H/q+2;;/p-2