Molecular Structure of Solvent Black 46 (CAS NO.65294-17-9):

IUPAC Name: 3-[(4-Anilinophenyl)diazenyl]benzenesulfonate ; [4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,
5-dien-1-ylidene]-dimethylazanium 
Molecular Formula: C₂₅H₃₀N₃^.C₁₈H₁₄N₃O₃S
Molecular Weight: 724.92
EINECS: 265-686-8 
H-Bond Donor: 1
H-Bond Acceptor: 8
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 724.31956
MonoIsotopic Mass: 724.31956
Topological Polar Surface Area: 112
Heavy Atom Count: 53
Complexity: 1060 
SMILES: [O-]S(=O)(=O)c3cccc(/N=N/c2ccc(Nc1ccccc1)cc2)c3.C(=C1/C=C\C(=[N+](/C)C)\C=C1)(\c2ccc(N(C)C)cc2)c3ccc(N(C)C)cc3
InChI: InChI=1/C25H30N3.C18H15N3O3S/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h7-18H,1-6H3;1-13,19H,(H,22,23,24)/q+1;/p-1/b;21-20+
InChIKey: PFSIUSJTHMWHPU-APNVAQAWBW

 Solvent Black 46 (CAS NO.65294-17-9), its Synonyms are Tritylium, 4,4',4''-tris(dimethylamino)-, m-((p-anilinophenyl)azo)benzenesulfonate ; Methylium, tris(4-(dimethylamino)phenyl)-, 3-(2-(4-(phenylamino)phenyl)diazenyl)benzenesulfonate (1:1) ; Methylium, tris(4-(dimethylamino)phenyl)-, salt with 3-((4-(phenylamino)phenyl)azo)benzenesulfonic acid (1:1) ; p,p',p''-Tris(dimethylamino)tritylium m-((p-anilinophenyl)azo)benzenesulphonate .