6-[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(docosanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-6-oxo-hexanoic acid CAS Name: 6-[2,2-bis(hydroxymethyl)-3-(1-oxodocosoxy)propoxy]-6-oxohexanoic acid IUPAC Name: 6-[2-(docosanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-6-oxohexanoic acid Traditional Name: 6-[2-(docosanoyloxymethyl)-3-hydroxy-2-methylol-propoxy]-6-keto-hexanoic acid Formula: C33H62O8 MolecularWeight: 586.84058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCC(=O)O

InChI

InChI=1S/C33H62O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31(38)40-28-33(26-34,27-35)29-41-32(39)25-22-21-23-30(36)37/h34-35H,2-29H2,1H3,(H,36,37)