[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] (E)-hexadec-9-enoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] (E)-hexadec-9-enoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C21H40O5 MolecularWeight: 372.5393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C21H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-19-21(16-22,17-23)18-24/h7-8,22-24H,2-6,9-19H2,1H3/b8-7+