2-[[2-(2-ethylhexoxy)-4-methyl-phenyl]methoxy-(thiolan-1-ium-2-yl)methyl]thiolan-1-ium dichloride

Systemtic Name: 2-[[2-(2-ethylhexoxy)-4-methyl-phenyl]methoxy-(thiolan-1-ium-2-yl)methyl]thiolan-1-ium dichloride Openeye Name: 2-[[2-(2-ethylhexoxy)-4-methyl-phenyl]methoxy-tetrahydrothiophen-1-ium-2-yl-methyl]tetrahydrothiophen-1-ium dichloride CAS Name: 2-[[2-(2-ethylhexoxy)-4-methylphenyl]methoxy-(2-thiolan-1-iumyl)methyl]thiolan-1-ium dichloride IUPAC Name: 2-[[2-(2-ethylhexoxy)-4-methylphenyl]methoxy-(thiolan-1-ium-2-yl)methyl]thiolan-1-ium dichloride Traditional Name: 2-[[2-(2-ethylhexoxy)-4-methyl-benzyl]oxy-tetrahydrothiophen-1-ium-2-yl-methyl]tetrahydrothiophen-1-ium dichloride Formula: C25H42Cl2O2S2 MolecularWeight: 509.63578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C(C=CC(=C1)C)COC(C2CCC[SH+]2)C3CCC[SH+]3.[Cl-].[Cl-]

Isomeric SMILES

CCCCC(CC)COC1=C(C=CC(=C1)C)COC(C2CCC[SH+]2)C3CCC[SH+]3.[Cl-].[Cl-]

InChI

InChI=1S/C25H40O2S2.2ClH/c1-4-6-9-20(5-2)17-26-22-16-19(3)12-13-21(22)18-27-25(23-10-7-14-28-23)24-11-8-15-29-24;;/h12-13,16,20,23-25H,4-11,14-15,17-18H2,1-3H3;2*1H