sodium 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxy-benzenesulfonate

Systemtic Name: sodium 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxy-benzenesulfonate Openeye Name: sodium 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxy-benzenesulfonate CAS Name: sodium 5-bis[4-(trifluoromethyl)phenyl]phosphino-2-methoxybenzenesulfonate IUPAC Name: sodium 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxybenzenesulfonate Traditional Name: sodium 5-bis[4-(trifluoromethyl)phenyl]phosphino-2-methoxy-besylate Formula: C21H14F6NaO4PS MolecularWeight: 530.35241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)P(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)P(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H15F6O4PS.Na/c1-31-18-11-10-17(12-19(18)33(28,29)30)32(15-6-2-13(3-7-15)20(22,23)24)16-8-4-14(5-9-16)21(25,26)27;/h2-12H,1H3,(H,28,29,30);/q;+1/p-1