1,3-bis[(1-dodecylpyridin-1-ium-4-yl)sulfanyl]propan-2-ol diiodide

Systemtic Name: 1,3-bis[(1-dodecylpyridin-1-ium-4-yl)sulfanyl]propan-2-ol diiodide Openeye Name: 1,3-bis[(1-dodecylpyridin-1-ium-4-yl)sulfanyl]propan-2-ol diiodide CAS Name: 1,3-bis[(1-dodecyl-4-pyridin-1-iumyl)thio]-2-propanol diiodide IUPAC Name: 1,3-bis[(1-dodecylpyridin-1-ium-4-yl)sulfanyl]propan-2-ol diiodide Traditional Name: 1,3-bis[(1-laurylpyridin-1-ium-4-yl)thio]propan-2-ol diiodide Formula: C37H64I2N2OS2 MolecularWeight: 870.8558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)SCC(CSC2=CC=[N+](C=C2)CCCCCCCCCCCC)O.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)SCC(CSC2=CC=[N+](C=C2)CCCCCCCCCCCC)O.[I-].[I-]

InChI

InChI=1S/C37H64N2OS2.2HI/c1-3-5-7-9-11-13-15-17-19-21-27-38-29-23-36(24-30-38)41-33-35(40)34-42-37-25-31-39(32-26-37)28-22-20-18-16-14-12-10-8-6-4-2;;/h23-26,29-32,35,40H,3-22,27-28,33-34H2,1-2H3;2*1H/q+2;;/p-2