[4,5-bis(hexanoylsulfanyl)-2-oxidanyl-2-phosphono-pentyl]-trimethyl-azanium

Systemtic Name: [4,5-bis(hexanoylsulfanyl)-2-oxidanyl-2-phosphono-pentyl]-trimethyl-azanium Openeye Name: [4,5-bis(hexanoylsulfanyl)-2-hydroxy-2-phosphono-pentyl]-trimethyl-ammonium CAS Name: [2-hydroxy-4,5-bis(1-oxohexylthio)-2-phosphonopentyl]-trimethylammonium IUPAC Name: [4,5-bis(hexanoylsulfanyl)-2-hydroxy-2-phosphonopentyl]-trimethylazanium Traditional Name: [4,5-bis(caproylthio)-2-hydroxy-2-phosphono-pentyl]-trimethyl-ammonium Formula: C20H41NO6PS2+ MolecularWeight: 486.646401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SCC(CC(C[N+](C)(C)C)(O)P(=O)(O)O)SC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)SCC(CC(C[N+](C)(C)C)(O)P(=O)(O)O)SC(=O)CCCCC

InChI

InChI=1S/C20H40NO6PS2/c1-6-8-10-12-18(22)29-15-17(30-19(23)13-11-9-7-2)14-20(24,28(25,26)27)16-21(3,4)5/h17,24H,6-16H2,1-5H3,(H-,25,26,27)/p+1