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

Systemtic Name: 2,2,3-tris(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 2,2,3-tris(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 2,2,3-tris(3,5-ditert-butyl-4-hydroxyphenyl)propanoate IUPAC Name: 2,2,3-tris(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 2,2,3-tris(3,5-ditert-butyl-4-hydroxy-phenyl)propionate Formula: C45H65O5- MolecularWeight: 685.9946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(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)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(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)C(=O)[O-]

InChI

InChI=1S/C45H66O5/c1-39(2,3)29-19-26(20-30(35(29)46)40(4,5)6)25-45(38(49)50,27-21-31(41(7,8)9)36(47)32(22-27)42(10,11)12)28-23-33(43(13,14)15)37(48)34(24-28)44(16,17)18/h19-24,46-48H,25H2,1-18H3,(H,49,50)/p-1