hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; [2-[(2E,4E)-5-phenylpenta-2,4-dien-2-yl]phenyl]azanium

Systemtic Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; [2-[(2E,4E)-5-phenylpenta-2,4-dien-2-yl]phenyl]azanium Openeye Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; [2-[(1E,3E)-1-methyl-4-phenyl-buta-1,3-dienyl]phenyl]ammonium CAS Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; [2-[(2E,4E)-5-phenylpenta-2,4-dien-2-yl]phenyl]ammonium IUPAC Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; [2-[(2E,4E)-5-phenylpenta-2,4-dien-2-yl]phenyl]azanium Traditional Name: hexyl-tris[3-(trifluoromethyl)phenyl]boranuide; [2-[(1E,3E)-1-methyl-4-phenyl-buta-1,3-dienyl]phenyl]ammonium Formula: C44H43BF9N MolecularWeight: 767.615549

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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.CC(=CC=CC1=CC=CC=C1)C2=CC=CC=C2[NH3+]

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/C(=C\C=C\C1=CC=CC=C1)/C2=CC=CC=C2[NH3+]

InChI

InChI=1S/C27H25BF9.C17H17N/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(16-12-5-6-13-17(16)18)8-7-11-15-9-3-2-4-10-15/h6-14,16-18H,2-5,15H2,1H3;2-13H,18H2,1H3/q-1;/p+1/b;11-7+,14-8+