octadecyl 2,2,3-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: octadecyl 2,2,3-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: octadecyl 2,2,3-tris(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 2,2,3-tris(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid octadecyl ester IUPAC Name: octadecyl 2,2,3-tris(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 2,2,3-tris(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid stearyl ester Formula: C63H102O5 MolecularWeight: 939.48098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C63H102O5/c1-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-68-56(67)63(45-39-49(59(8,9)10)54(65)50(40-45)60(11,12)13,46-41-51(61(14,15)16)55(66)52(42-46)62(17,18)19)43-44-37-47(57(2,3)4)53(64)48(38-44)58(5,6)7/h37-42,64-66H,20-36,43H2,1-19H3