6-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-6-oxo-hexanoic acid CAS Name: 6-[2,2-bis(hydroxymethyl)-3-[(E)-1-oxooctadec-9-enoxy]propoxy]-6-oxohexanoic acid IUPAC Name: 6-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxypropoxy]-6-oxohexanoic acid Traditional Name: 6-[2,2-dimethylol-3-[(E)-octadec-9-enoyl]oxy-propoxy]-6-keto-hexanoic acid Formula: C29H52O8 MolecularWeight: 528.71838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCC(=O)O

InChI

InChI=1S/C29H52O8/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/h9-10,30-31H,2-8,11-25H2,1H3,(H,32,33)/b10-9+