6-[[1-[(E)-hexatriacont-9-en-17-yl]oxy-3-oxidanyl-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyhexyl-trimethyl-azanium

Systemtic Name: 6-[[1-[(E)-hexatriacont-9-en-17-yl]oxy-3-oxidanyl-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyhexyl-trimethyl-azanium Openeye Name: 6-[[1-[1-[(E)-hexadec-7-enyl]icosoxymethyl]-2-hydroxy-ethoxy]-hydroxy-phosphoryl]oxyhexyl-trimethyl-ammonium CAS Name: 6-[[1-[(E)-hexatriacont-9-en-17-yl]oxy-3-hydroxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexyl-trimethylammonium IUPAC Name: 6-[[1-[(E)-hexatriacont-9-en-17-yl]oxy-3-hydroxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexyl-trimethylazanium Traditional Name: 6-[hydroxy-[1-methylol-2-[(E)-1-nonadecylheptadec-8-enoxy]ethoxy]phosphoryl]oxyhexyl-trimethyl-ammonium Formula: C48H99NO6P+ MolecularWeight: 817.276521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CCCCCCC=CCCCCCCCC)OCC(CO)OP(=O)(O)OCCCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CCCCCC/C=C/CCCCCCCC)OCC(CO)OP(=O)(O)OCCCCCC[N+](C)(C)C

InChI

InChI=1S/C48H98NO6P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-38-42-47(41-37-33-31-29-27-25-21-19-17-15-13-11-9-7-2)53-46-48(45-50)55-56(51,52)54-44-40-36-35-39-43-49(3,4)5/h21,25,47-48,50H,6-20,22-24,26-46H2,1-5H3/p+1/b25-21+