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

Systemtic Name: [2-(3-hexadecylsulfanylcyclopentyl)-2-oxidanyl-2-phosphono-ethyl]-trimethyl-azanium Openeye Name: [2-(3-hexadecylsulfanylcyclopentyl)-2-hydroxy-2-phosphono-ethyl]-trimethyl-ammonium CAS Name: [2-[3-(hexadecylthio)cyclopentyl]-2-hydroxy-2-phosphonoethyl]-trimethylammonium IUPAC Name: [2-(3-hexadecylsulfanylcyclopentyl)-2-hydroxy-2-phosphonoethyl]-trimethylazanium Traditional Name: [2-[3-(cetylthio)cyclopentyl]-2-hydroxy-2-phosphono-ethyl]-trimethyl-ammonium Formula: C26H55NO4PS+ MolecularWeight: 508.757961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1CCC(C1)C(C[N+](C)(C)C)(O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1CCC(C1)C(C[N+](C)(C)C)(O)P(=O)(O)O

InChI

InChI=1S/C26H54NO4PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-25-20-19-24(22-25)26(28,32(29,30)31)23-27(2,3)4/h24-25,28H,5-23H2,1-4H3,(H-,29,30,31)/p+1