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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-henicosan-2-yl]-6-nonadecanoyl-oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-icosyl]-6-nonadecanoyl-tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxoheneicosan-2-yl)-6-(1-oxononadecyl)oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxohenicosan-2-yl)-6-nonadecanoyloxane-2,5-dione Traditional Name: 6-(1-hydroxy-2-keto-1-methylol-eicosyl)-6-nonadecanoyl-tetrahydropyran-2,5-quinone Formula: C45H82O7 MolecularWeight: 735.12838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H82O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(47)44(51,39-46)45(42(49)37-38-43(50)52-45)41(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h46,51H,3-39H2,1-2H3