sodium 4-[1-[tert-butyl(dipropoxyphosphoryl)amino]oxy-3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl]benzenesulfonate

Systemtic Name: sodium 4-[1-[tert-butyl(dipropoxyphosphoryl)amino]oxy-3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl]benzenesulfonate Openeye Name: sodium 4-[1-[tert-butyl(dipropoxyphosphoryl)amino]oxy-4-hydroxy-3,3-dimethyl-4-oxo-butyl]benzenesulfonate CAS Name: sodium 4-[1-[tert-butyl(dipropoxyphosphoryl)amino]oxy-4-hydroxy-3,3-dimethyl-4-oxobutyl]benzenesulfonate IUPAC Name: sodium 4-[1-[tert-butyl(dipropoxyphosphoryl)amino]oxy-4-hydroxy-3,3-dimethyl-4-oxobutyl]benzenesulfonate Traditional Name: sodium 4-[1-[tert-butyl(dipropoxyphosphoryl)amino]oxy-4-hydroxy-4-keto-3,3-dimethyl-butyl]besylate Formula: C22H37NNaO9PS MolecularWeight: 545.559011

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(N(C(C)(C)C)OC(CC(C)(C)C(=O)O)C1=CC=C(C=C1)S(=O)(=O)[O-])OCCC.[Na+]

Isomeric SMILES

CCCOP(=O)(N(C(C)(C)C)OC(CC(C)(C)C(=O)O)C1=CC=C(C=C1)S(=O)(=O)[O-])OCCC.[Na+]

InChI

InChI=1S/C22H38NO9PS.Na/c1-8-14-30-33(26,31-15-9-2)23(21(3,4)5)32-19(16-22(6,7)20(24)25)17-10-12-18(13-11-17)34(27,28)29;/h10-13,19H,8-9,14-16H2,1-7H3,(H,24,25)(H,27,28,29);/q;+1/p-1