6-[1,2-bis(oxidanyl)-3-oxidanylidene-octadecan-2-yl]-6-octadecanoyl-oxane-2,5-dione

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-octadecan-2-yl]-6-octadecanoyl-oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-heptadecyl]-6-octadecanoyl-tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxooctadecan-2-yl)-6-(1-oxooctadecyl)oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxooctadecan-2-yl)-6-octadecanoyloxane-2,5-dione Traditional Name: 6-(1-hydroxy-2-keto-1-methylol-heptadecyl)-6-stearoyl-tetrahydropyran-2,5-quinone Formula: C41H74O7 MolecularWeight: 679.02206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1(C(=O)CCC(=O)O1)C(CO)(C(=O)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1(C(=O)CCC(=O)O1)C(CO)(C(=O)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H74O7/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(44)41(38(45)33-34-39(46)48-41)40(47,35-42)36(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h42,47H,3-35H2,1-2H3