bis(2-ethylhexyl)-(4-oxidanyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium

Systemtic Name: bis(2-ethylhexyl)-(4-oxidanyl-4-oxidanylidene-butanethioyl)-sulfanyl-azanium Openeye Name: bis(2-ethylhexyl)-(4-hydroxy-4-oxo-butanethioyl)-sulfanyl-ammonium CAS Name: bis(2-ethylhexyl)-(4-hydroxy-4-oxo-1-sulfanylidenebutyl)-mercaptoammonium IUPAC Name: bis(2-ethylhexyl)-(4-hydroxy-4-oxobutanethioyl)-sulfanylazanium Traditional Name: bis(2-ethylhexyl)-(4-hydroxy-4-keto-butanethioyl)-mercapto-ammonium Formula: C20H40NO2S2+ MolecularWeight: 390.6671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[N+](CC(CC)CCCC)(C(=S)CCC(=O)O)S

Isomeric SMILES

CCCCC(CC)C[N+](CC(CC)CCCC)(C(=S)CCC(=O)O)S

InChI

InChI=1S/C20H39NO2S2/c1-5-9-11-17(7-3)15-21(25,19(24)13-14-20(22)23)16-18(8-4)12-10-6-2/h17-18,25H,5-16H2,1-4H3/p+1