3-[19-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptatriacontan-19-yloxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[19-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)heptatriacontan-19-yloxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[1-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-octadecyl-nonadecoxy]-3-oxo-propanoic acid CAS Name: 3-[19-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptatriacontan-19-yloxy]-3-oxopropanoic acid IUPAC Name: 3-[19-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptatriacontan-19-yloxy]-3-oxopropanoic acid Traditional Name: 3-[1-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-1-stearyl-nonadecoxy]-3-keto-propionic acid Formula: C51H92O5 MolecularWeight: 785.27318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C1=CC(=C(C(=C1)C(C)(C)C)O)C)OC(=O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C1=CC(=C(C(=C1)C(C)(C)C)O)C)OC(=O)CC(=O)O

InChI

InChI=1S/C51H92O5/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-51(56-48(54)43-47(52)53,45-41-44(3)49(55)46(42-45)50(4,5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42,55H,7-40,43H2,1-6H3,(H,52,53)