2-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium; dioctadecyl hydrogen phosphate

Systemtic Name: 2-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium; dioctadecyl hydrogen phosphate Openeye Name: 2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium; dioctadecyl hydrogen phosphate CAS Name: 2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylammonium; dioctadecyl hydrogen phosphate IUPAC Name: 2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium; dioctadecyl hydrogen phosphate Traditional Name: distearyl hydrogen phosphate; 2-[glyceryloxy(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H96NO10P2+ MolecularWeight: 861.181262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)(O)OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)(O)OCC(CO)O

InChI

InChI=1S/C36H75O4P.C8H20NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h3-36H2,1-2H3,(H,37,38);8,10-11H,4-7H2,1-3H3/p+1