12-[12-[12-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]dodecanoic acid

Systemtic Name: 12-[12-[12-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]dodecanoic acid Openeye Name: 12-[12-[12-(5-dodecoxy-3-hydroxy-5-oxo-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]dodecanoic acid CAS Name: 12-[12-[12-(5-dodecoxy-3-hydroxy-1,5-dioxopentoxy)-1-oxododecoxy]-1-oxododecoxy]dodecanoic acid IUPAC Name: 12-[12-[12-(5-dodecoxy-3-hydroxy-5-oxopentanoyl)oxydodecanoyloxy]dodecanoyloxy]dodecanoic acid Traditional Name: 12-[12-[12-(3-hydroxy-5-keto-5-lauryloxy-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]lauric acid Formula: C53H98O11 MolecularWeight: 911.33862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C53H98O11/c1-2-3-4-5-6-7-14-23-30-37-44-63-52(59)46-48(54)47-53(60)64-45-38-31-24-17-10-13-20-27-34-41-51(58)62-43-36-29-22-16-9-12-19-26-33-40-50(57)61-42-35-28-21-15-8-11-18-25-32-39-49(55)56/h48,54H,2-47H2,1H3,(H,55,56)