6-[1,2-bis(oxidanyl)-3-oxidanylidene-docosan-2-yl]-6-[(E)-hexadec-9-enoyl]oxane-2,5-dione

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-docosan-2-yl]-6-[(E)-hexadec-9-enoyl]oxane-2,5-dione Openeye Name: 6-[(E)-hexadec-9-enoyl]-6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-henicosyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxodocosan-2-yl)-6-[(E)-1-oxohexadec-9-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxodocosan-2-yl)-6-[(E)-hexadec-9-enoyl]oxane-2,5-dione Traditional Name: 6-[(E)-hexadec-9-enoyl]-6-(1-hydroxy-2-keto-1-methylol-heneicosyl)tetrahydropyran-2,5-quinone Formula: C43H76O7 MolecularWeight: 705.05934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)CCCCCCCC=CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)CCCCCCC/C=C/CCCCCC)O

InChI

InChI=1S/C43H76O7/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(45)42(49,37-44)43(40(47)35-36-41(48)50-43)39(46)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16,44,49H,3-13,15,17-37H2,1-2H3/b16-14+