dialuminum [3-(16-methylheptadecoxy)-2-oxidanyl-propyl] phosphate

Systemtic Name: dialuminum [3-(16-methylheptadecoxy)-2-oxidanyl-propyl] phosphate Openeye Name: dialuminum [2-hydroxy-3-(16-methylheptadecoxy)propyl] phosphate CAS Name: dialuminum [2-hydroxy-3-(16-methylheptadecoxy)propyl] phosphate IUPAC Name: dialuminum [2-hydroxy-3-(16-methylheptadecoxy)propyl] phosphate Traditional Name: dialuminum [2-hydroxy-3-(16-methylheptadecoxy)propyl] phosphate Formula: C63H129Al2O18P3 MolecularWeight: 1321.571919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCOCC(COP(=O)([O-])[O-])O.CC(C)CCCCCCCCCCCCCCCOCC(COP(=O)([O-])[O-])O.CC(C)CCCCCCCCCCCCCCCOCC(COP(=O)([O-])[O-])O.[Al+3].[Al+3]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCOCC(COP(=O)([O-])[O-])O.CC(C)CCCCCCCCCCCCCCCOCC(COP(=O)([O-])[O-])O.CC(C)CCCCCCCCCCCCCCCOCC(COP(=O)([O-])[O-])O.[Al+3].[Al+3]

InChI

InChI=1S/3C21H45O6P.2Al/c3*1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-26-18-21(22)19-27-28(23,24)25;;/h3*20-22H,3-19H2,1-2H3,(H2,23,24,25);;/q;;;2*+3/p-6