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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-icosan-2-yl]-6-[(E)-icos-2-enoyl]oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-nonadecyl]-6-[(E)-icos-2-enoyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxoeicosan-2-yl)-6-[(E)-1-oxoeicos-2-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxoicosan-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-nonadecyl)tetrahydropyran-2,5-quinone Formula: C45H80O7 MolecularWeight: 733.1125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H80O7/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(48)45(42(49)37-38-43(50)52-45)44(51,39-46)40(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h34,36,46,51H,3-33,35,37-39H2,1-2H3/b36-34+