[2-[4,5-bis(oxidanyl)oxepan-3-yl]-2-oxidanyl-ethyl] (E)-octadec-11-enoate

Systemtic Name: [2-[4,5-bis(oxidanyl)oxepan-3-yl]-2-oxidanyl-ethyl] (E)-octadec-11-enoate Openeye Name: [2-(4,5-dihydroxyoxepan-3-yl)-2-hydroxy-ethyl] (E)-octadec-11-enoate CAS Name: (E)-11-octadecenoic acid [2-(4,5-dihydroxy-3-oxepanyl)-2-hydroxyethyl] ester IUPAC Name: [2-(4,5-dihydroxyoxepan-3-yl)-2-hydroxyethyl] (E)-octadec-11-enoate Traditional Name: (E)-octadec-11-enoic acid [2-(4,5-dihydroxyoxepan-3-yl)-2-hydroxy-ethyl] ester Formula: C26H48O6 MolecularWeight: 456.65572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC(=O)OCC(C1COCCC(C1O)O)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCC(=O)OCC(C1COCCC(C1O)O)O

InChI

InChI=1S/C26H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)32-21-24(28)22-20-31-19-18-23(27)26(22)30/h7-8,22-24,26-28,30H,2-6,9-21H2,1H3/b8-7+