[2-(3-hexadecylsulfanylcyclohexyl)-2-oxidanyl-2-phosphono-ethyl]-trimethyl-azanium

Systemtic Name: [2-(3-hexadecylsulfanylcyclohexyl)-2-oxidanyl-2-phosphono-ethyl]-trimethyl-azanium Openeye Name: [2-(3-hexadecylsulfanylcyclohexyl)-2-hydroxy-2-phosphono-ethyl]-trimethyl-ammonium CAS Name: [2-[3-(hexadecylthio)cyclohexyl]-2-hydroxy-2-phosphonoethyl]-trimethylammonium IUPAC Name: [2-(3-hexadecylsulfanylcyclohexyl)-2-hydroxy-2-phosphonoethyl]-trimethylazanium Traditional Name: [2-[3-(cetylthio)cyclohexyl]-2-hydroxy-2-phosphono-ethyl]-trimethyl-ammonium Formula: C27H57NO4PS+ MolecularWeight: 522.784541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1CCCC(C1)C(C[N+](C)(C)C)(O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1CCCC(C1)C(C[N+](C)(C)C)(O)P(=O)(O)O

InChI

InChI=1S/C27H56NO4PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-26-21-19-20-25(23-26)27(29,33(30,31)32)24-28(2,3)4/h25-26,29H,5-24H2,1-4H3,(H-,30,31,32)/p+1