(1-hexadecylsulfanyl-2-oxidanyl-2-phosphono-butyl)-trimethyl-azanium

Systemtic Name: (1-hexadecylsulfanyl-2-oxidanyl-2-phosphono-butyl)-trimethyl-azanium Openeye Name: (1-hexadecylsulfanyl-2-hydroxy-2-phosphono-butyl)-trimethyl-ammonium CAS Name: [1-(hexadecylthio)-2-hydroxy-2-phosphonobutyl]-trimethylammonium IUPAC Name: (1-hexadecylsulfanyl-2-hydroxy-2-phosphonobutyl)-trimethylazanium Traditional Name: [1-(cetylthio)-2-hydroxy-2-phosphono-butyl]-trimethyl-ammonium Formula: C23H51NO4PS+ MolecularWeight: 468.694101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C(CC)(O)P(=O)(O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C(CC)(O)P(=O)(O)O)[N+](C)(C)C

InChI

InChI=1S/C23H50NO4PS/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22(24(3,4)5)23(25,7-2)29(26,27)28/h22,25H,6-21H2,1-5H3,(H-,26,27,28)/p+1