(E)-2-[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl]octadec-9-enoate

Systemtic Name: (E)-2-[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl]octadec-9-enoate Openeye Name: (E)-2-[4-hydroxy-1,1-bis(hydroxymethyl)butyl]octadec-9-enoate CAS Name: (E)-2-[1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl]-9-octadecenoate IUPAC Name: (E)-2-[1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl]octadec-9-enoate Traditional Name: (E)-2-(4-hydroxy-1,1-dimethylol-butyl)octadec-9-enoate Formula: C24H45O5- MolecularWeight: 413.6111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C(=O)[O-])C(CCCO)(CO)CO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(=O)[O-])C(CCCO)(CO)CO

InChI

InChI=1S/C24H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22(23(28)29)24(20-26,21-27)18-16-19-25/h9-10,22,25-27H,2-8,11-21H2,1H3,(H,28,29)/p-1/b10-9+