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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)-diethoxyphosphoryl-(1-phenylethylamino)methyl]phosphonic acid Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-diethoxyphosphoryl-(1-phenylethylamino)methyl]phosphonic acid CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-diethoxyphosphoryl-(1-phenylethylamino)methyl]phosphonic acid IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-diethoxyphosphoryl-(1-phenylethylamino)methyl]phosphonic acid Traditional Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-diethoxyphosphoryl-(1-phenylethylamino)methyl]phosphonic acid Formula: C27H43NO7P2 MolecularWeight: 555.580342

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(NC(C)C2=CC=CC=C2)P(=O)(O)O)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(NC(C)C2=CC=CC=C2)P(=O)(O)O)OCC

InChI

InChI=1S/C27H43NO7P2/c1-10-34-37(33,35-11-2)27(36(30,31)32,28-19(3)20-15-13-12-14-16-20)21-17-22(25(4,5)6)24(29)23(18-21)26(7,8)9/h12-19,28-29H,10-11H2,1-9H3,(H2,30,31,32)