[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: [2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] (E)-12-oxidanyloctadec-9-enoate Openeye Name: [2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethyl] (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid [2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethyl] ester IUPAC Name: [2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl] (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid [2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethyl] ester Formula: C24H40O8 MolecularWeight: 456.5696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)O)O

InChI

InChI=1S/C24H40O8/c1-2-3-4-11-14-18(25)15-12-9-7-5-6-8-10-13-16-20(27)31-17-19(26)23-21(28)22(29)24(30)32-23/h9,12,18-19,23,25-26,29-30H,2-8,10-11,13-17H2,1H3/b12-9+