(4-hexadecanoyloxy-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)methyl hexadecanoate

Systemtic Name: (4-hexadecanoyloxy-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)methyl hexadecanoate Openeye Name: (4-hexadecanoyloxy-3-oxo-cyclohexa-1,4-dien-1-yl)methyl hexadecanoate CAS Name: hexadecanoic acid [3-oxo-4-(1-oxohexadecoxy)-1-cyclohexa-1,4-dienyl]methyl ester IUPAC Name: (4-hexadecanoyloxy-3-oxocyclohexa-1,4-dien-1-yl)methyl hexadecanoate Traditional Name: palmitic acid (4-hexadecanoyloxy-3-keto-cyclohexa-1,4-dien-1-yl)methyl ester Formula: C39H68O5 MolecularWeight: 616.95422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CC(=O)C(=CC1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC(=O)C(=CC1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(41)43-34-35-31-32-37(36(40)33-35)44-39(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33H,3-31,34H2,1-2H3