sodium [3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoyl]-(trifluoromethylsulfonyl)azanide

Systemtic Name: sodium [3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoyl]-(trifluoromethylsulfonyl)azanide Openeye Name: sodium [3-(3-ethylphenyl)-2-(4-isopropylphenoxy)-2-methyl-propanoyl]-(trifluoromethylsulfonyl)azanide CAS Name: sodium [3-(3-ethylphenyl)-2-methyl-1-oxo-2-(4-propan-2-ylphenoxy)propyl]-(trifluoromethylsulfonyl)azanide IUPAC Name: sodium [3-(3-ethylphenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoyl]-(trifluoromethylsulfonyl)azanide Traditional Name: sodium [3-(3-ethylphenyl)-2-(4-isopropylphenoxy)-2-methyl-propanoyl]-triflyl-azanide Formula: C22H25F3NNaO4S MolecularWeight: 479.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CC(C)(C(=O)[N-]S(=O)(=O)C(F)(F)F)OC2=CC=C(C=C2)C(C)C.[Na+]

Isomeric SMILES

CCC1=CC(=CC=C1)CC(C)(C(=O)[N-]S(=O)(=O)C(F)(F)F)OC2=CC=C(C=C2)C(C)C.[Na+]

InChI

InChI=1S/C22H26F3NO4S.Na/c1-5-16-7-6-8-17(13-16)14-21(4,20(27)26-31(28,29)22(23,24)25)30-19-11-9-18(10-12-19)15(2)3;/h6-13,15H,5,14H2,1-4H3,(H,26,27);/q;+1/p-1