dimethyl-(4-oxidanylnaphthalen-1-yl)sulfanium; hexyl-tris[3-(trifluoromethyl)phenyl]boranuide

Systemtic Name: dimethyl-(4-oxidanylnaphthalen-1-yl)sulfanium; hexyl-tris[3-(trifluoromethyl)phenyl]boranuide Openeye Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; (4-hydroxy-1-naphthyl)-dimethyl-sulfonium CAS Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; (4-hydroxy-1-naphthalenyl)-dimethylsulfonium IUPAC Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; (4-hydroxynaphthalen-1-yl)-dimethylsulfanium Traditional Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; (4-hydroxy-1-naphthyl)-dimethyl-sulfonium Formula: C39H38BF9OS MolecularWeight: 736.580049

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCCCC)(C1=CC(=CC=C1)C(F)(F)F)(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F.C[S+](C)C1=CC=C(C2=CC=CC=C21)O

Isomeric SMILES

[B-](CCCCCC)(C1=CC(=CC=C1)C(F)(F)F)(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F.C[S+](C)C1=CC=C(C2=CC=CC=C21)O

InChI

InChI=1S/C27H25BF9.C12H12OS/c1-2-3-4-5-15-28(22-12-6-9-19(16-22)25(29,30)31,23-13-7-10-20(17-23)26(32,33)34)24-14-8-11-21(18-24)27(35,36)37;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h6-14,16-18H,2-5,15H2,1H3;3-8H,1-2H3/q-1;/p+1