2-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]butanedioic acid

Systemtic Name: 2-[2-[2,3-di(hexadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethylamino]butanedioic acid Openeye Name: 2-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]butanedioic acid CAS Name: 2-[2-[2,3-bis(1-oxohexadecoxy)propoxy-hydroxyphosphoryl]oxyethylamino]butanedioic acid IUPAC Name: 2-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]butanedioic acid Traditional Name: 2-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethylamino]succinic acid Formula: C41H78NO12P MolecularWeight: 808.031281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(CC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(CC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H78NO12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(45)51-34-36(35-53-55(49,50)52-32-31-42-37(41(47)48)33-38(43)44)54-40(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,42H,3-35H2,1-2H3,(H,43,44)(H,47,48)(H,49,50)