4-(4-methylphenoxy)butyl-[2-[2-[4-(4-methylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride

Systemtic Name: 4-(4-methylphenoxy)butyl-[2-[2-[4-(4-methylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride Openeye Name: 4-(4-methylphenoxy)butyl-[2-[2-[4-(4-methylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride CAS Name: 4-(4-methylphenoxy)butyl-[2-[2-[4-(4-methylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride IUPAC Name: 4-(4-methylphenoxy)butyl-[2-[2-[4-(4-methylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium dichloride Traditional Name: 4-(4-methylphenoxy)butyl-[2-[2-[4-(4-methylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium dichloride Formula: C26H42Cl2N2O2S2 MolecularWeight: 549.65988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O2S2.2ClH/c1-23-7-11-25(12-8-23)29-19-5-3-15-27-17-21-31-32-22-18-28-16-4-6-20-30-26-13-9-24(2)10-14-26;;/h7-14,27-28H,3-6,15-22H2,1-2H3;2*1H