6-[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxidanylidene-hexanoate

Systemtic Name: 6-[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxidanylidene-hexanoate Openeye Name: 6-[2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propoxy]-6-oxo-hexanoate CAS Name: 6-[2,2-bis(hydroxymethyl)-3-(1-oxooctadecoxy)propoxy]-6-oxohexanoate IUPAC Name: 6-[2,2-bis(hydroxymethyl)-3-octadecanoyloxypropoxy]-6-oxohexanoate Traditional Name: 6-(2,2-dimethylol-3-stearoyloxy-propoxy)-6-keto-hexanoate Formula: C29H53O8- MolecularWeight: 529.72632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCC(=O)[O-]

InChI

InChI=1S/C29H54O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(34)36-24-29(22-30,23-31)25-37-28(35)21-18-17-19-26(32)33/h30-31H,2-25H2,1H3,(H,32,33)/p-1