diethyl 2-[6-[(5-methyl-1,3-dithiol-3-ium-4-yl)sulfanyl]hexyl]propanedioate hexafluorophosphate

Systemtic Name: diethyl 2-[6-[(5-methyl-1,3-dithiol-3-ium-4-yl)sulfanyl]hexyl]propanedioate hexafluorophosphate Openeye Name: diethyl 2-[6-[(5-methyl-1,3-dithiol-3-ium-4-yl)sulfanyl]hexyl]propanedioate hexafluorophosphate CAS Name: 2-[6-[(5-methyl-1,3-dithiol-3-ium-4-yl)thio]hexyl]propanedioic acid diethyl ester hexafluorophosphate IUPAC Name: diethyl 2-[6-[(5-methyl-1,3-dithiol-3-ium-4-yl)sulfanyl]hexyl]propanedioate hexafluorophosphate Traditional Name: 2-[6-[(5-methyl-1,3-dithiol-3-ium-4-yl)thio]hexyl]malonic acid diethyl ester hexafluorophosphate Formula: C17H27F6O4PS3 MolecularWeight: 536.55306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCSC1=C(SC=[S+]1)C)C(=O)OCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCOC(=O)C(CCCCCCSC1=C(SC=[S+]1)C)C(=O)OCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C17H27O4S3.F6P/c1-4-20-15(18)14(16(19)21-5-2)10-8-6-7-9-11-22-17-13(3)23-12-24-17;1-7(2,3,4,5)6/h12,14H,4-11H2,1-3H3;/q+1;-1