[4-(3-diphenylphosphorylphenanthren-4-yl)phenanthren-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(3-diphenylphosphorylphenanthren-4-yl)phenanthren-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(3-diphenylphosphoryl-4-phenanthryl)-3-phenanthryl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(3-diphenylphosphoryl-4-phenanthrenyl)-3-phenanthrenyl] ester IUPAC Name: [4-(3-diphenylphosphorylphenanthren-4-yl)phenanthren-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(3-diphenylphosphoryl-4-phenanthryl)-3-phenanthryl] ester Formula: C41H26F3O4PS MolecularWeight: 702.676711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=C(C=CC5=CC=CC=C54)C=C3)C6=C(C=CC7=C6C8=CC=CC=C8C=C7)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=C(C=CC5=CC=CC=C54)C=C3)C6=C(C=CC7=C6C8=CC=CC=C8C=C7)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C41H26F3O4PS/c42-41(43,44)50(46,47)48-35-25-23-29-21-19-27-11-7-9-17-33(27)37(29)39(35)40-36(26-24-30-22-20-28-12-8-10-18-34(28)38(30)40)49(45,31-13-3-1-4-14-31)32-15-5-2-6-16-32/h1-26H