[[(4-chlorophenyl)amino]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphonic acid

Systemtic Name: [[(4-chlorophenyl)amino]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphonic acid Openeye Name: [(4-chloroanilino)-(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphonic acid CAS Name: [(4-chloroanilino)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonic acid IUPAC Name: [(4-chloroanilino)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonic acid Traditional Name: [(4-chloroanilino)-(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphonic acid Formula: C21H29ClNO4P MolecularWeight: 425.886021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NC2=CC=C(C=C2)Cl)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NC2=CC=C(C=C2)Cl)P(=O)(O)O

InChI

InChI=1S/C21H29ClNO4P/c1-20(2,3)16-11-13(12-17(18(16)24)21(4,5)6)19(28(25,26)27)23-15-9-7-14(22)8-10-15/h7-12,19,23-24H,1-6H3,(H2,25,26,27)