4,4',4'',4'''-(5,10,15,20-porphyrintetrayl)tetrakis(n,n,n-trimethylanilinium) tetrakis(4-methylbenzenesulfonate)
[CAS# 69458-20-4]

Identification

• Classification: Organic raw materials >> Amino compound >> Sulfonic acid amino compound
• Name: 4,4',4'',4'''-(5,10,15,20-porphyrintetrayl)tetrakis(n,n,n-trimethylanilinium) tetrakis(4-methylbenzenesulfonate)
• Synonyms: 5,10,15,20-Tetrakis(4-trimethylammoniophenyl)porphyrin tetra(p-toluenesulfonate); 5,10,15,20-TETRAKIS[4- PHENYL]-21H,23H-PORPHINETETRA-P-TOSYLATESALT; TTMAPP
• Molecular Formula: C₈₄H₉₀N₈O₁₂S₄
• Molecular Weight: 1531.92
• CAS Registry Number: 69458-20-4
• SMILES: [O-]S(=O)(=O)c1ccc(C)cc1.[O-]S(=O)(=O)c1ccc(C)cc1.[O-]S(=O)(=O)c1ccc(C)cc1.C[N+](C)(C)c1ccc(cc1)c7c2\C=C/c(n2)c(c3nc(cc3)c(c\4nc(/C=C/4)c(c5ccc(cc5)[N+](C)(C)C)c6ccc7n6)c8ccc(cc8)[N+](C)(C)C)c9ccc(cc9)[N+](C)(C)C.[O-]S(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C56H62N8.4C7H8O3S/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;4*1-6-2-4-7(5-3-6)11(8,9)10/h13-36,57,60H,1-12H3;4*2-5H,1H3,(H,8,9,10)/q+4;;;;/p-4/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
• InChIKey: XFCJLTPKCPNBQV-BHYUYDJESA-J