3,3-bis(hydroxymethyl)pentyl (E)-octadec-9-enoate

Systemtic Name: 3,3-bis(hydroxymethyl)pentyl (E)-octadec-9-enoate Openeye Name: 3,3-bis(hydroxymethyl)pentyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 3,3-bis(hydroxymethyl)pentyl ester IUPAC Name: 3,3-bis(hydroxymethyl)pentyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 3,3-dimethylolpentyl ester Formula: C25H48O4 MolecularWeight: 412.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC(CC)(CO)CO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC(CC)(CO)CO

InChI

InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-21-20-25(4-2,22-26)23-27/h11-12,26-27H,3-10,13-23H2,1-2H3/b12-11+