2,6-ditert-butyl-4-[(4-fluorophenyl)amino]phenol; 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzenecarbonitrile; 2,6-ditert-butyl-4-phenylazanyl-phenol

Systemtic Name: 2,6-ditert-butyl-4-[(4-fluorophenyl)amino]phenol; 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzenecarbonitrile; 2,6-ditert-butyl-4-phenylazanyl-phenol Openeye Name: 4-anilino-2,6-ditert-butyl-phenol; 2,6-ditert-butyl-4-(4-fluoroanilino)phenol; 4-(3,5-ditert-butyl-4-hydroxy-anilino)benzonitrile CAS Name: 4-anilino-2,6-ditert-butylphenol; 2,6-ditert-butyl-4-(4-fluoroanilino)phenol; 4-(3,5-ditert-butyl-4-hydroxyanilino)benzonitrile IUPAC Name: 4-anilino-2,6-ditert-butylphenol; 2,6-ditert-butyl-4-(4-fluoroanilino)phenol; 4-(3,5-ditert-butyl-4-hydroxyanilino)benzonitrile Traditional Name: 4-anilino-2,6-ditert-butyl-phenol; 2,6-ditert-butyl-4-(4-fluoroanilino)phenol; 4-(3,5-ditert-butyl-4-hydroxy-anilino)benzonitrile Formula: C61H79FN4O3 MolecularWeight: 935.303363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=C(C=C2)C#N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=CC=C2.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=C(C=C2)C#N.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H26N2O.C20H26FNO.C20H27NO/c1-20(2,3)17-11-16(12-18(19(17)24)21(4,5)6)23-15-9-7-14(13-22)8-10-15;1-19(2,3)16-11-15(12-17(18(16)23)20(4,5)6)22-14-9-7-13(21)8-10-14;1-19(2,3)16-12-15(21-14-10-8-7-9-11-14)13-17(18(16)22)20(4,5)6/h7-12,23-24H,1-6H3;7-12,22-23H,1-6H3;7-13,21-22H,1-6H3