[2,2-bis(hydroxymethyl)-3-octadecoxy-henicosyl] phosphono hydrogen phosphate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-octadecoxy-henicosyl] phosphono hydrogen phosphate Openeye Name: [2,2-bis(hydroxymethyl)-3-octadecoxy-henicosyl] phosphono hydrogen phosphate CAS Name: [2,2-bis(hydroxymethyl)-3-octadecoxyheneicosyl] phosphono hydrogen phosphate IUPAC Name: [2,2-bis(hydroxymethyl)-3-octadecoxyhenicosyl] phosphono hydrogen phosphate Traditional Name: (2,2-dimethylol-3-stearyloxy-heneicosyl) phosphono hydrogen phosphate Formula: C41H86O10P2 MolecularWeight: 801.063062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(CO)(CO)COP(=O)(O)OP(=O)(O)O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(CO)(CO)COP(=O)(O)OP(=O)(O)O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H86O10P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(41(37-42,38-43)39-50-53(47,48)51-52(44,45)46)49-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,42-43H,3-39H2,1-2H3,(H,47,48)(H2,44,45,46)