[2-(hydroxymethyl)-2-oxidanyl-pentanoyl] (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: [2-(hydroxymethyl)-2-oxidanyl-pentanoyl] (E)-12-oxidanyloctadec-9-enoate Openeye Name: [2-hydroxy-2-(hydroxymethyl)pentanoyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid [2-hydroxy-2-(hydroxymethyl)-1-oxopentyl] ester IUPAC Name: [2-hydroxy-2-(hydroxymethyl)pentanoyl] (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid (2-hydroxy-2-methylol-pentanoyl) ester Formula: C24H44O6 MolecularWeight: 428.60256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(=O)C(CCC)(CO)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC(=O)C(CCC)(CO)O)O

InChI

InChI=1S/C24H44O6/c1-3-5-6-13-16-21(26)17-14-11-9-7-8-10-12-15-18-22(27)30-23(28)24(29,20-25)19-4-2/h11,14,21,25-26,29H,3-10,12-13,15-20H2,1-2H3/b14-11+