2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-3-phenoxy-propanoic acid

Systemtic Name: 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-3-phenoxy-propanoic acid Openeye Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-oxo-3-phenoxy-propanoic acid CAS Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxo-3-phenoxypropanoic acid IUPAC Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxo-3-phenoxypropanoic acid Traditional Name: 2,2-bis(3,5-ditert-butyl-4-hydroxy-benzyl)-3-keto-3-phenoxy-propionic acid Formula: C39H52O6 MolecularWeight: 616.82658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(C(=O)O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(C(=O)O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C39H52O6/c1-35(2,3)27-18-24(19-28(31(27)40)36(4,5)6)22-39(33(42)43,34(44)45-26-16-14-13-15-17-26)23-25-20-29(37(7,8)9)32(41)30(21-25)38(10,11)12/h13-21,40-41H,22-23H2,1-12H3,(H,42,43)