[2-(dioctadecoxyphosphorylmethyl)-3-phosphono-2-(phosphonomethyl)propyl]phosphonic acid

Systemtic Name: [2-(dioctadecoxyphosphorylmethyl)-3-phosphono-2-(phosphonomethyl)propyl]phosphonic acid Openeye Name: [2-(dioctadecoxyphosphorylmethyl)-3-phosphono-2-(phosphonomethyl)propyl]phosphonic acid CAS Name: [2-(dioctadecoxyphosphorylmethyl)-3-phosphono-2-(phosphonomethyl)propyl]phosphonic acid IUPAC Name: [2-(dioctadecoxyphosphorylmethyl)-3-phosphono-2-(phosphonomethyl)propyl]phosphonic acid Traditional Name: [2-(distearyloxyphosphorylmethyl)-3-phosphono-2-(phosphonomethyl)propyl]phosphonic acid Formula: C41H88O12P4 MolecularWeight: 897.025264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)(CC(CP(=O)(O)O)(CP(=O)(O)O)CP(=O)(O)O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(CC(CP(=O)(O)O)(CP(=O)(O)O)CP(=O)(O)O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H88O12P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-52-57(51,40-41(37-54(42,43)44,38-55(45,46)47)39-56(48,49)50)53-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H2,42,43,44)(H2,45,46,47)(H2,48,49,50)