6-(2-octadecanoyloxy-3-oxidanyl-propoxy)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(2-octadecanoyloxy-3-oxidanyl-propoxy)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-hydroxy-2-octadecanoyloxy-propoxy)-6-oxo-hexanoic acid CAS Name: 6-[3-hydroxy-2-(1-oxooctadecoxy)propoxy]-6-oxohexanoic acid IUPAC Name: 6-(3-hydroxy-2-octadecanoyloxypropoxy)-6-oxohexanoic acid Traditional Name: 6-(3-hydroxy-2-stearoyloxy-propoxy)-6-keto-hexanoic acid Formula: C27H50O7 MolecularWeight: 486.6817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCC(=O)O

InChI

InChI=1S/C27H50O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(32)34-24(22-28)23-33-26(31)20-18-17-19-25(29)30/h24,28H,2-23H2,1H3,(H,29,30)