tris[4-(diethylamino)phenyl]azanium stiborate hexahydrofluoride

Systemtic Name: tris[4-(diethylamino)phenyl]azanium stiborate hexahydrofluoride Openeye Name: tris[4-(diethylamino)phenyl]ammonium stiborate hexahydrofluoride CAS Name: tris[4-(diethylamino)phenyl]ammonium stiborate hexahydrofluoride IUPAC Name: tris[4-(diethylamino)phenyl]azanium stiborate hexahydrofluoride Traditional Name: tris[4-(diethylamino)phenyl]ammonium stiborate hexahydrofluoride Formula: C90H135F6N12O4Sb MolecularWeight: 1684.863319

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.CCN(CC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.CCN(CC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.[O-][Sb](=O)([O-])[O-].F.F.F.F.F.F

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.CCN(CC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.CCN(CC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC.[O-][Sb](=O)([O-])[O-].F.F.F.F.F.F

InChI

InChI=1S/3C30H42N4.6FH.4O.Sb/c3*1-7-31(8-2)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(9-3)10-4)30-23-17-27(18-24-30)33(11-5)12-6;;;;;;;;;;;/h3*13-24H,7-12H2,1-6H3;6*1H;;;;;/q;;;;;;;;;;3*-1;/p+3