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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-icosan-2-yl]-6-octadecanoyl-oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-nonadecyl]-6-octadecanoyl-tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxoeicosan-2-yl)-6-(1-oxooctadecyl)oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxoicosan-2-yl)-6-octadecanoyloxane-2,5-dione Traditional Name: 6-(1-hydroxy-2-keto-1-methylol-nonadecyl)-6-stearoyl-tetrahydropyran-2,5-quinone Formula: C43H78O7 MolecularWeight: 707.07522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H78O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(45)42(49,37-44)43(40(47)35-36-41(48)50-43)39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,49H,3-37H2,1-2H3