(2-hexadecoxy-4-methylsulfonyl-butyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: (2-hexadecoxy-4-methylsulfonyl-butyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: (2-hexadecoxy-4-methylsulfonyl-butyl) 2-(trimethylammonio)ethyl phosphate CAS Name: (2-hexadecoxy-4-methylsulfonylbutyl) 2-(trimethylammonio)ethyl phosphate IUPAC Name: (2-hexadecoxy-4-methylsulfonylbutyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: (2-cetyloxy-4-mesyl-butyl) 2-(trimethylammonio)ethyl phosphate Formula: C26H56NO7PS MolecularWeight: 557.764101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(CCS(=O)(=O)C)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(CCS(=O)(=O)C)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C26H56NO7PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-26(20-24-36(5,30)31)25-34-35(28,29)33-23-21-27(2,3)4/h26H,6-25H2,1-5H3