dioctadecyl 2,2-bis[(3,5-ditert-butylphenyl)-oxidanyl-methyl]propanedioate

Systemtic Name: dioctadecyl 2,2-bis[(3,5-ditert-butylphenyl)-oxidanyl-methyl]propanedioate Openeye Name: dioctadecyl 2,2-bis[(3,5-ditert-butylphenyl)-hydroxy-methyl]propanedioate CAS Name: 2,2-bis[(3,5-ditert-butylphenyl)-hydroxymethyl]propanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2,2-bis[(3,5-ditert-butylphenyl)-hydroxymethyl]propanedioate Traditional Name: 2,2-bis[(3,5-ditert-butylphenyl)-hydroxy-methyl]malonic acid distearyl ester Formula: C69H120O6 MolecularWeight: 1045.6875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)O)(C(C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)O)(C(C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C69H120O6/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-74-63(72)69(61(70)55-49-57(65(3,4)5)53-58(50-55)66(6,7)8,62(71)56-51-59(67(9,10)11)54-60(52-56)68(12,13)14)64(73)75-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2/h49-54,61-62,70-71H,15-48H2,1-14H3