bis(3-octadecanoyloxy-2-oxidanyl-propyl) 2-oxidanylbutanedioate

Systemtic Name: bis(3-octadecanoyloxy-2-oxidanyl-propyl) 2-oxidanylbutanedioate Openeye Name: bis(2-hydroxy-3-octadecanoyloxy-propyl) 2-hydroxybutanedioate CAS Name: 2-hydroxybutanedioic acid bis[2-hydroxy-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: bis(2-hydroxy-3-octadecanoyloxypropyl) 2-hydroxybutanedioate Traditional Name: 2-hydroxysuccinic acid bis(2-hydroxy-3-stearoyloxy-propyl) ester Formula: C46H86O11 MolecularWeight: 815.16844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(C(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(C(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O)O)O

InChI

InChI=1S/C46H86O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)54-36-40(47)38-56-45(52)35-42(49)46(53)57-39-41(48)37-55-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-42,47-49H,3-39H2,1-2H3