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3-[3-[(E)-docos-13-enoyl]oxypropoxy-oxidanyl-phosphoryl]oxypropyl-trimethyl-azanium

3-[3-[(E)-docos-13-enoyl]oxypropoxy-oxidanyl-phosphoryl]oxypropyl-trimethyl-azanium

Systemtic Name:3-[3-[(E)-docos-13-enoyl]oxypropoxy-oxidanyl-phosphoryl]oxypropyl-trimethyl-azanium
Openeye Name:3-[3-[(E)-docos-13-enoyl]oxypropoxy-hydroxy-phosphoryl]oxypropyl-trimethyl-ammonium
CAS Name:3-[hydroxy-[3-[(E)-1-oxodocos-13-enoxy]propoxy]phosphoryl]oxypropyl-trimethylammonium
IUPAC Name:3-[3-[(E)-docos-13-enoyl]oxypropoxy-hydroxyphosphoryl]oxypropyl-trimethylazanium
Traditional Name:3-[3-[(E)-docos-13-enoyl]oxypropoxy-hydroxy-phosphoryl]oxypropyl-trimethyl-ammonium
Formula: C31H63NO6P+
MolecularWeight: 576.808781
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCCC[N+](C)(C)C


Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCCC[N+](C)(C)C


InChI

InChI=1S/C31H62NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-31(33)36-28-25-30-38-39(34,35)37-29-24-27-32(2,3)4/h12-13H,5-11,14-30H2,1-4H3/p+1/b13-12+


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