(3-methylsulfonyloxy-4-octadecoxy-butyl)-[3-(trimethylazaniumyl)propyl]phosphinate

Systemtic Name: (3-methylsulfonyloxy-4-octadecoxy-butyl)-[3-(trimethylazaniumyl)propyl]phosphinate Openeye Name: (3-methylsulfonyloxy-4-octadecoxy-butyl)-[3-(trimethylammonio)propyl]phosphinate CAS Name: (3-methylsulfonyloxy-4-octadecoxybutyl)-[3-(trimethylammonio)propyl]phosphinate IUPAC Name: (3-methylsulfonyloxy-4-octadecoxybutyl)-[3-(trimethylazaniumyl)propyl]phosphinate Traditional Name: (3-methylsulfonyloxy-4-stearyloxy-butyl)-[3-(trimethylammonio)propyl]phosphinate Formula: C29H62NO6PS MolecularWeight: 583.844441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CCC[N+](C)(C)C)[O-])OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CCC[N+](C)(C)C)[O-])OS(=O)(=O)C

InChI

InChI=1S/C29H62NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-35-28-29(36-38(5,33)34)23-27-37(31,32)26-22-24-30(2,3)4/h29H,6-28H2,1-5H3