4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride

Systemtic Name: 4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride Openeye Name: 4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride CAS Name: 4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride IUPAC Name: 4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride Traditional Name: 4-(2,5-dimethylphenoxy)butyl-[2-[2-[4-(2,5-dimethylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride Formula: C28H46Cl2N2O2S2 MolecularWeight: 577.71304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC[NH2+]CCSSCC[NH2+]CCCCOC2=C(C=CC(=C2)C)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC[NH2+]CCSSCC[NH2+]CCCCOC2=C(C=CC(=C2)C)C.[Cl-].[Cl-]

InChI

InChI=1S/C28H44N2O2S2.2ClH/c1-23-9-11-25(3)27(21-23)31-17-7-5-13-29-15-19-33-34-20-16-30-14-6-8-18-32-28-22-24(2)10-12-26(28)4;;/h9-12,21-22,29-30H,5-8,13-20H2,1-4H3;2*1H