5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxy-benzenesulfonic acid Openeye Name: 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxy-benzenesulfonic acid CAS Name: 5-bis[4-(trifluoromethyl)phenyl]phosphino-2-methoxybenzenesulfonic acid IUPAC Name: 5-bis[4-(trifluoromethyl)phenyl]phosphanyl-2-methoxybenzenesulfonic acid Traditional Name: 5-bis[4-(trifluoromethyl)phenyl]phosphino-2-methoxy-besylic acid Formula: C21H15F6O4PS MolecularWeight: 508.37058

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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

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

InChI

InChI=1S/C21H15F6O4PS/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)