2,5-dimethyl-2-[[3-(morpholin-4-ylsulfanylcarbonylsulfanylmethyl)phenyl]methyl]-4-oxidanyl-morpholin-4-ium-4-carbodithioic acid

Systemtic Name: 2,5-dimethyl-2-[[3-(morpholin-4-ylsulfanylcarbonylsulfanylmethyl)phenyl]methyl]-4-oxidanyl-morpholin-4-ium-4-carbodithioic acid Openeye Name: 4-hydroxy-2,5-dimethyl-2-[[3-(morpholinosulfanylcarbonylsulfanylmethyl)phenyl]methyl]morpholin-4-ium-4-carbodithioic acid CAS Name: 4-hydroxy-2,5-dimethyl-2-[[3-[[[(4-morpholinylthio)-oxomethyl]thio]methyl]phenyl]methyl]-4-morpholin-4-iumcarbodithioic acid IUPAC Name: 4-hydroxy-2,5-dimethyl-2-[[3-(morpholin-4-ylsulfanylcarbonylsulfanylmethyl)phenyl]methyl]morpholin-4-ium-4-carbodithioic acid Traditional Name: 4-hydroxy-2,5-dimethyl-2-[3-[[(morpholinothio)carbonylthio]methyl]benzyl]morpholin-4-ium-4-carbodithioic acid Formula: C20H29N2O4S4+ MolecularWeight: 489.71526

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(C[N+]1(C(=S)S)O)(C)CC2=CC(=CC=C2)CSC(=O)SN3CCOCC3

Isomeric SMILES

CC1COC(C[N+]1(C(=S)S)O)(C)CC2=CC(=CC=C2)CSC(=O)SN3CCOCC3

InChI

InChI=1S/C20H28N2O4S4/c1-15-12-26-20(2,14-22(15,24)18(27)28)11-16-4-3-5-17(10-16)13-29-19(23)30-21-6-8-25-9-7-21/h3-5,10,15,24H,6-9,11-14H2,1-2H3/p+1