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

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-icosan-2-yl]-6-[(E)-tetradec-9-enoyl]oxane-2,5-dione Openeye Name: 6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-nonadecyl]-6-[(E)-tetradec-9-enoyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxoeicosan-2-yl)-6-[(E)-1-oxotetradec-9-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxoicosan-2-yl)-6-[(E)-tetradec-9-enoyl]oxane-2,5-dione Traditional Name: 6-(1-hydroxy-2-keto-1-methylol-nonadecyl)-6-[(E)-tetradec-9-enoyl]tetrahydropyran-2,5-quinone Formula: C39H68O7 MolecularWeight: 648.95302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H68O7/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(41)38(45,33-40)39(36(43)31-32-37(44)46-39)35(42)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12,40,45H,3-9,11,13-33H2,1-2H3/b12-10+