4-phosphanyl-2,3-bis[4-(trifluoromethyl)phenyl]benzenesulfonic acid

Systemtic Name: 4-phosphanyl-2,3-bis[4-(trifluoromethyl)phenyl]benzenesulfonic acid Openeye Name: 4-phosphanyl-2,3-bis[4-(trifluoromethyl)phenyl]benzenesulfonic acid CAS Name: 4-phosphino-2,3-bis[4-(trifluoromethyl)phenyl]benzenesulfonic acid IUPAC Name: 4-phosphanyl-2,3-bis[4-(trifluoromethyl)phenyl]benzenesulfonic acid Traditional Name: 4-phosphino-2,3-bis[4-(trifluoromethyl)phenyl]besylic acid Formula: C20H13F6O3PS MolecularWeight: 478.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)O)P)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)O)P)C(F)(F)F

InChI

InChI=1S/C20H13F6O3PS/c21-19(22,23)13-5-1-11(2-6-13)17-15(30)9-10-16(31(27,28)29)18(17)12-3-7-14(8-4-12)20(24,25)26/h1-10H,30H2,(H,27,28,29)