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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-hexadecan-2-yl]-6-[(E)-octadec-9-enoyl]oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-pentadecyl]-6-[(E)-octadec-9-enoyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxohexadecan-2-yl)-6-[(E)-1-oxooctadec-9-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxohexadecan-2-yl)-6-[(E)-octadec-9-enoyl]oxane-2,5-dione Traditional Name: 6-(1-hydroxy-2-keto-1-methylol-pentadecyl)-6-[(E)-octadec-9-enoyl]tetrahydropyran-2,5-quinone Formula: C39H68O7 MolecularWeight: 648.95302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H68O7/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(42)39(36(43)31-32-37(44)46-39)38(45,33-40)34(41)29-27-25-23-21-19-14-12-10-8-6-4-2/h16-17,40,45H,3-15,18-33H2,1-2H3/b17-16+