1,3-bis(oxidanyl)propan-2-yl (Z)-docos-13-enoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl (Z)-docos-13-enoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C25H48O4 MolecularWeight: 412.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(CO)CO

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(CO)CO

InChI

InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-