bis(2-dodecoxyethyl) 2-[[4-(6-phosphonooxyhexoxy)phenyl]carbonylamino]pentanedioate

Systemtic Name: bis(2-dodecoxyethyl) 2-[[4-(6-phosphonooxyhexoxy)phenyl]carbonylamino]pentanedioate Openeye Name: bis(2-dodecoxyethyl) 2-[[4-(6-phosphonooxyhexoxy)benzoyl]amino]pentanedioate CAS Name: 2-[[oxo-[4-(6-phosphonooxyhexoxy)phenyl]methyl]amino]pentanedioic acid bis(2-dodecoxyethyl) ester IUPAC Name: bis(2-dodecoxyethyl) 2-[[4-(6-phosphonooxyhexoxy)benzoyl]amino]pentanedioate Traditional Name: 2-[[4-(6-phosphonooxyhexoxy)benzoyl]amino]glutaric acid bis(2-lauryloxyethyl) ester Formula: C46H82NO12P MolecularWeight: 872.116541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCOC(=O)CCC(C(=O)OCCOCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)OCCCCCCOP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCOCCOC(=O)CCC(C(=O)OCCOCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)OCCCCCCOP(=O)(O)O

InChI

InChI=1S/C46H82NO12P/c1-3-5-7-9-11-13-15-17-19-23-33-54-37-39-57-44(48)32-31-43(46(50)58-40-38-55-34-24-20-18-16-14-12-10-8-6-4-2)47-45(49)41-27-29-42(30-28-41)56-35-25-21-22-26-36-59-60(51,52)53/h27-30,43H,3-26,31-40H2,1-2H3,(H,47,49)(H2,51,52,53)