6-[[3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propoxy]-oxidanyl-phosphoryl]oxyhexyl-trimethyl-azanium

Systemtic Name: 6-[[3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propoxy]-oxidanyl-phosphoryl]oxyhexyl-trimethyl-azanium Openeye Name: 6-[[3-hexadecoxy-2-(hexadecoxymethyl)-2-methyl-propoxy]-hydroxy-phosphoryl]oxyhexyl-trimethyl-ammonium CAS Name: 6-[[3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropoxy]-hydroxyphosphoryl]oxyhexyl-trimethylammonium IUPAC Name: 6-[[3-hexadecoxy-2-(hexadecoxymethyl)-2-methylpropoxy]-hydroxyphosphoryl]oxyhexyl-trimethylazanium Traditional Name: 6-[[3-cetyloxy-2-(cetyloxymethyl)-2-methyl-propoxy]-hydroxy-phosphoryl]oxyhexyl-trimethyl-ammonium Formula: C46H97NO6P+ MolecularWeight: 791.239241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C)(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCCCCC[N+](C)(C)C

InChI

InChI=1S/C46H96NO6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-32-36-40-50-43-46(3,45-53-54(48,49)52-42-38-34-31-35-39-47(4,5)6)44-51-41-37-33-30-28-26-24-22-20-18-16-14-12-10-8-2/h7-45H2,1-6H3/p+1