6-[1,2-bis(oxidanyl)-3-oxidanylidene-docosan-2-yl]-6-[(E)-icos-2-enoyl]oxane-2,5-dione

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-docosan-2-yl]-6-[(E)-icos-2-enoyl]oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-henicosyl]-6-[(E)-icos-2-enoyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxodocosan-2-yl)-6-[(E)-1-oxoeicos-2-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxodocosan-2-yl)-6-[(E)-icos-2-enoyl]oxane-2,5-dione Traditional Name: 6-[(E)-eicos-2-enoyl]-6-(1-hydroxy-2-keto-1-methylol-heneicosyl)tetrahydropyran-2,5-quinone Formula: C47H84O7 MolecularWeight: 761.16566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)/C=C/CCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C47H84O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(49)46(53,41-48)47(44(51)39-40-45(52)54-47)43(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36,38,48,53H,3-35,37,39-41H2,1-2H3/b38-36+