[2-[(E)-hexadec-9-enoxy]-3-hexadecoxy-propoxy]-[3-(trimethylazaniumyl)propyl]phosphinate

Systemtic Name: [2-[(E)-hexadec-9-enoxy]-3-hexadecoxy-propoxy]-[3-(trimethylazaniumyl)propyl]phosphinate Openeye Name: [2-[(E)-hexadec-9-enoxy]-3-hexadecoxy-propoxy]-[3-(trimethylammonio)propyl]phosphinate CAS Name: [2-[(E)-hexadec-9-enoxy]-3-hexadecoxypropoxy]-[3-(trimethylammonio)propyl]phosphinate IUPAC Name: [2-[(E)-hexadec-9-enoxy]-3-hexadecoxypropoxy]-[3-(trimethylazaniumyl)propyl]phosphinate Traditional Name: [3-cetyloxy-2-[(E)-hexadec-9-enoxy]propoxy]-[3-(trimethylammonio)propyl]phosphinate Formula: C41H84NO5P MolecularWeight: 702.083121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCC[N+](C)(C)C)[O-])OCCCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCC[N+](C)(C)C)[O-])OCCCCCCCC/C=C/CCCCCC

InChI

InChI=1S/C41H84NO5P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-45-39-41(40-47-48(43,44)38-34-35-42(3,4)5)46-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,41H,6-16,18,20-40H2,1-5H3/b19-17+