dioctadecyl 2-[(5-tert-butyl-2,3-dimethyl-phenyl)-oxidanyl-methyl]propanedioate

Systemtic Name: dioctadecyl 2-[(5-tert-butyl-2,3-dimethyl-phenyl)-oxidanyl-methyl]propanedioate Openeye Name: dioctadecyl 2-[(5-tert-butyl-2,3-dimethyl-phenyl)-hydroxy-methyl]propanedioate CAS Name: 2-[(5-tert-butyl-2,3-dimethylphenyl)-hydroxymethyl]propanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2-[(5-tert-butyl-2,3-dimethylphenyl)-hydroxymethyl]propanedioate Traditional Name: 2-[(5-tert-butyl-2,3-dimethyl-phenyl)-hydroxy-methyl]malonic acid distearyl ester Formula: C52H94O5 MolecularWeight: 799.29976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC(=C1C)C)C(C)(C)C)O)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC(=C1C)C)C(C)(C)C)O)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H94O5/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-56-50(54)48(49(53)47-43-46(52(5,6)7)42-44(3)45(47)4)51(55)57-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2/h42-43,48-49,53H,8-41H2,1-7H3