triethyl-[5-[4-[5-(triethylazaniumyl)pentylsulfanyl]phenyl]sulfanylpentyl]azanium diiodide

Systemtic Name: triethyl-[5-[4-[5-(triethylazaniumyl)pentylsulfanyl]phenyl]sulfanylpentyl]azanium diiodide Openeye Name: triethyl-[5-[4-[5-(triethylammonio)pentylsulfanyl]phenyl]sulfanylpentyl]ammonium diiodide CAS Name: triethyl-[5-[[4-[5-(triethylammonio)pentylthio]phenyl]thio]pentyl]ammonium diiodide IUPAC Name: triethyl-[5-[4-[5-(triethylazaniumyl)pentylsulfanyl]phenyl]sulfanylpentyl]azanium diiodide Traditional Name: triethyl-[5-[[4-[5-(triethylammonio)pentylthio]phenyl]thio]pentyl]ammonium diiodide Formula: C28H54I2N2S2 MolecularWeight: 736.6807

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCCSC1=CC=C(C=C1)SCCCCC[N+](CC)(CC)CC.[I-].[I-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCCSC1=CC=C(C=C1)SCCCCC[N+](CC)(CC)CC.[I-].[I-]

InChI

InChI=1S/C28H54N2S2.2HI/c1-7-29(8-2,9-3)23-15-13-17-25-31-27-19-21-28(22-20-27)32-26-18-14-16-24-30(10-4,11-5)12-6;;/h19-22H,7-18,23-26H2,1-6H3;2*1H/q+2;;/p-2