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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-octadecan-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-heptadecyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxooctadecan-2-yl)-6-[(E)-1-oxohexadec-9-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxooctadecan-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-heptadecyl)tetrahydropyran-2,5-quinone Formula: C39H68O7 MolecularWeight: 648.95302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H68O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(41)38(45,33-40)39(36(43)31-32-37(44)46-39)35(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,40,45H,3-13,15,17-33H2,1-2H3/b16-14+