4-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2,2-dimethyl-4-(4-sulfophenyl)butanoic acid

Systemtic Name: 4-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2,2-dimethyl-4-(4-sulfophenyl)butanoic acid Openeye Name: 4-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2,2-dimethyl-4-(4-sulfophenyl)butanoic acid CAS Name: 4-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2,2-dimethyl-4-(4-sulfophenyl)butanoic acid IUPAC Name: 4-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2,2-dimethyl-4-(4-sulfophenyl)butanoic acid Traditional Name: 4-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2,2-dimethyl-4-(4-sulfophenyl)butyric acid Formula: C22H38NO9PS MolecularWeight: 523.577181

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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

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

InChI

InChI=1S/C22H38NO9PS/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)