4-methoxybutyl-[2-[2-[4-(2-propan-2-ylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium; propan-2-ylbenzene; dichloride

Systemtic Name: 4-methoxybutyl-[2-[2-[4-(2-propan-2-ylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium; propan-2-ylbenzene; dichloride Openeye Name: cumene; 4-(2-isopropylphenoxy)butyl-[2-[2-(4-methoxybutylammonio)ethyldisulfanyl]ethyl]ammonium; dichloride CAS Name: cumene; 4-methoxybutyl-[2-[2-[4-(2-propan-2-ylphenoxy)butylammonio]ethyldisulfanyl]ethyl]ammonium; dichloride IUPAC Name: cumene; 4-methoxybutyl-[2-[2-[4-(2-propan-2-ylphenoxy)butylazaniumyl]ethyldisulfanyl]ethyl]azanium; dichloride Traditional Name: cumene; 4-(2-isopropylphenoxy)butyl-[2-[2-(4-methoxybutylammonio)ethyldisulfanyl]ethyl]ammonium; dichloride Formula: C31H54Cl2N2O2S2 MolecularWeight: 621.80866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1.CC(C)C1=CC=CC=C1OCCCC[NH2+]CCSSCC[NH2+]CCCCOC.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC=CC=C1.CC(C)C1=CC=CC=C1OCCCC[NH2+]CCSSCC[NH2+]CCCCOC.[Cl-].[Cl-]

InChI

InChI=1S/C22H40N2O2S2.C9H12.2ClH/c1-20(2)21-10-4-5-11-22(21)26-17-9-7-13-24-15-19-28-27-18-14-23-12-6-8-16-25-3;1-8(2)9-6-4-3-5-7-9;;/h4-5,10-11,20,23-24H,6-9,12-19H2,1-3H3;3-8H,1-2H3;2*1H