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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-hexadecan-2-yl]-6-[(E)-tetradec-9-enoyl]oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-pentadecyl]-6-[(E)-tetradec-9-enoyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxohexadecan-2-yl)-6-[(E)-1-oxotetradec-9-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxohexadecan-2-yl)-6-[(E)-tetradec-9-enoyl]oxane-2,5-dione Traditional Name: 6-(1-hydroxy-2-keto-1-methylol-pentadecyl)-6-[(E)-tetradec-9-enoyl]tetrahydropyran-2,5-quinone Formula: C35H60O7 MolecularWeight: 592.8467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)CCCCCCCC=CCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)CCCCCCC/C=C/CCCC)O

InChI

InChI=1S/C35H60O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(37)34(41,29-36)35(32(39)27-28-33(40)42-35)31(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,36,41H,3-9,11,13-29H2,1-2H3/b12-10+