4-[4,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-3H-1,3-oxazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-3H-1,3-oxazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-3H-oxazol-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-3H-oxazol-2-ylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-3H-1,3-oxazol-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4,5-bis(3,5-ditert-butyl-4-hydroxy-phenyl)-4-oxazolin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C45H63NO4 MolecularWeight: 681.98602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(OC(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(OC(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C45H63NO4/c1-40(2,3)28-19-25(20-29(35(28)47)41(4,5)6)34-38(26-21-30(42(7,8)9)36(48)31(22-26)43(10,11)12)50-39(46-34)27-23-32(44(13,14)15)37(49)33(24-27)45(16,17)18/h19-24,46-48H,1-18H3