[(1,3-benzodioxol-5-ylmethylamino)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphonic acid

Systemtic Name: [(1,3-benzodioxol-5-ylmethylamino)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phosphonic acid Openeye Name: [(1,3-benzodioxol-5-ylmethylamino)-(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phosphonic acid CAS Name: [(1,3-benzodioxol-5-ylmethylamino)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonic acid IUPAC Name: [(1,3-benzodioxol-5-ylmethylamino)-(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphonic acid Traditional Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-(piperonylamino)methyl]phosphonic acid Formula: C23H32NO6P MolecularWeight: 449.477041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NCC2=CC3=C(C=C2)OCO3)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NCC2=CC3=C(C=C2)OCO3)P(=O)(O)O

InChI

InChI=1S/C23H32NO6P/c1-22(2,3)16-10-15(11-17(20(16)25)23(4,5)6)21(31(26,27)28)24-12-14-7-8-18-19(9-14)30-13-29-18/h7-11,21,24-25H,12-13H2,1-6H3,(H2,26,27,28)