sodium 2-(3,5-ditert-butyl-2-oxidanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: sodium 2-(3,5-ditert-butyl-2-oxidanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: sodium 2-(3,5-ditert-butyl-2-hydroxy-phenyl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: sodium 2-(3,5-ditert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate IUPAC Name: sodium 2-(3,5-ditert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: sodium 2-(3,5-ditert-butyl-2-hydroxy-phenyl)-3,3,3-trifluoro-2-hydroxy-propionate Formula: C17H22F3NaO4 MolecularWeight: 370.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C(=O)[O-])(C(F)(F)F)O.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C(=O)[O-])(C(F)(F)F)O.[Na+]

InChI

InChI=1S/C17H23F3O4.Na/c1-14(2,3)9-7-10(15(4,5)6)12(21)11(8-9)16(24,13(22)23)17(18,19)20;/h7-8,21,24H,1-6H3,(H,22,23);/q;+1/p-1