sodium 18-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-17,18-bis(oxidanyl)octadecanoate

Systemtic Name: sodium 18-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-17,18-bis(oxidanyl)octadecanoate Openeye Name: sodium 18-(4,5-dihydroxy-3-oxo-2-furyl)-17,18-dihydroxy-octadecanoate CAS Name: sodium 18-(4,5-dihydroxy-3-oxo-2-furanyl)-17,18-dihydroxyoctadecanoate IUPAC Name: sodium 18-(4,5-dihydroxy-3-oxofuran-2-yl)-17,18-dihydroxyoctadecanoate Traditional Name: sodium 18-(4,5-dihydroxy-3-keto-2-furyl)-17,18-dihydroxy-stearate Formula: C22H37NaO8 MolecularWeight: 452.51415

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCC(C(C1C(=O)C(=C(O1)O)O)O)O)CCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C(CCCCCCCC(C(C1C(=O)C(=C(O1)O)O)O)O)CCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C22H38O8.Na/c23-16(18(26)21-19(27)20(28)22(29)30-21)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(24)25;/h16,18,21,23,26,28-29H,1-15H2,(H,24,25);/q;+1/p-1