4-[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propoxy]-4-oxo-butanoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-3-(1-oxooctadecoxy)propoxy]-4-oxobutanoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-3-octadecanoyloxypropoxy]-4-oxobutanoic acid Traditional Name: 4-(2,2-dimethylol-3-stearoyloxy-propoxy)-4-keto-butyric acid Formula: C27H50O8 MolecularWeight: 502.6811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCC(=O)O

InChI

InChI=1S/C27H50O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(32)34-22-27(20-28,21-29)23-35-26(33)19-18-24(30)31/h28-29H,2-23H2,1H3,(H,30,31)