Sodium 4,4',4'',4'''-(5,10,15,20-porphyrintetrayl)tetrabenzenesulfonate hydrate (4:1:1)
[CAS# 122451-08-5]

Identification

• Name: Sodium 4,4',4'',4'''-(5,10,15,20-porphyrintetrayl)tetrabenzenesulfonate hydrate (4:1:1)
• Synonyms: 4,4′,4′′,4′′′-(Porphine-5,10,15,20-tetrayl)tetrakis(benzenesulfonic acid) tetrasodium salt hydrate; 5,10,15,20-Tetraphenyl-21H, 23H-porphine-p,p′,p″,p′′′-tetrasulfonic acid tetrasodium hydrate; meso-Tetraphenylporphine-4,4',4'',4'''-tetrasulfonic acid tetrasodium salt
• Molecular Formula: C₄₄H₂₈N₄Na₄O₁₃S₄
• Molecular Weight: 1040.93
• CAS Registry Number: 122451-08-5
• SMILES: [Na+].[Na+].[Na+].[Na+].O.[O-]S(=O)(=O)c1ccc(cc1)c7c2\C=C/c(n2)c(c3nc(cc3)c(c\4nc(/C=C/4)c(c5ccc(cc5)S([O-])(=O)=O)c6ccc7n6)c8ccc(cc8)S([O-])(=O)=O)c9ccc(cc9)S([O-])(=O)=O
• InChI: 1S/C44H30N4O12S4.4Na.H2O/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;;;;;/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;1H2/q;4*+1;/p-4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
• InChIKey: LMNVUEGSCDLLCZ-FLYAKZGESA-J

Properties

• Refractive index: (Cal.)