4-[(1,3-benzodioxol-5-ylmethylamino)-diethoxyphosphoryl-methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-diethoxyphosphoryl-methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-diethoxyphosphoryl-methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-diethoxyphosphorylmethyl]-2,6-ditert-butylphenol IUPAC Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-diethoxyphosphorylmethyl]-2,6-ditert-butylphenol Traditional Name: 2,6-ditert-butyl-4-[diethoxyphosphoryl-(piperonylamino)methyl]phenol Formula: C27H40NO6P MolecularWeight: 505.583361

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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)NCC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NCC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C27H40NO6P/c1-9-33-35(30,34-10-2)25(28-16-18-11-12-22-23(13-18)32-17-31-22)19-14-20(26(3,4)5)24(29)21(15-19)27(6,7)8/h11-15,25,28-29H,9-10,16-17H2,1-8H3