diethyl-[2-[[4-[10,15,20-tris[4-[2-(diethylazaniumyl)ethylsulfamoyl]phenyl]porphyrin-21,22-diid-5-yl]phenyl]sulfonylamino]ethyl]azanium; manganese(3+); pentachloride

Systemtic Name: diethyl-[2-[[4-[10,15,20-tris[4-[2-(diethylazaniumyl)ethylsulfamoyl]phenyl]porphyrin-21,22-diid-5-yl]phenyl]sulfonylamino]ethyl]azanium; manganese(3+); pentachloride Openeye Name: manganic diethyl-[2-[[4-[10,15,20-tris[4-[2-(diethylammonio)ethylsulfamoyl]phenyl]porphyrin-21,22-diid-5-yl]phenyl]sulfonylamino]ethyl]ammonium pentachloride CAS Name: diethyl-[2-[[4-[10,15,20-tris[4-[2-(diethylammonio)ethylsulfamoyl]phenyl]-5-porphyrin-21,22-diidyl]phenyl]sulfonylamino]ethyl]ammonium; manganese(3+); pentachloride IUPAC Name: diethyl-[2-[[4-[10,15,20-tris[4-[2-(diethylazaniumyl)ethylsulfamoyl]phenyl]porphyrin-21,22-diid-5-yl]phenyl]sulfonylamino]ethyl]azanium; manganese(3+); pentachloride Traditional Name: manganic diethyl-[2-[[4-[10,15,20-tris[4-[2-(diethylammonio)ethylsulfamoyl]phenyl]porphine-21,22-diid-5-yl]phenyl]sulfonylamino]ethyl]ammonium pentachloride Formula: C68H88Cl5MnN12O8S4 MolecularWeight: 1561.964969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCC[NH+](CC)CC)C8=CC=C(C=C8)S(=O)(=O)NCC[NH+](CC)CC)C9=CC=C(C=C9)S(=O)(=O)NCC[NH+](CC)CC)[N-]3.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3]

Isomeric SMILES

CC[NH+](CC)CCNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCC[NH+](CC)CC)C8=CC=C(C=C8)S(=O)(=O)NCC[NH+](CC)CC)C9=CC=C(C=C9)S(=O)(=O)NCC[NH+](CC)CC)[N-]3.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3]

InChI

InChI=1S/C68H84N12O8S4.5ClH.Mn/c1-9-77(10-2)45-41-69-89(81,82)53-25-17-49(18-26-53)65-57-33-35-59(73-57)66(50-19-27-54(28-20-50)90(83,84)70-42-46-78(11-3)12-4)61-37-39-63(75-61)68(52-23-31-56(32-24-52)92(87,88)72-44-48-80(15-7)16-8)64-40-38-62(76-64)67(60-36-34-58(65)74-60)51-21-29-55(30-22-51)91(85,86)71-43-47-79(13-5)14-6;;;;;;/h17-40,69-72H,9-16,41-48H2,1-8H3;5*1H;/q-2;;;;;;+3/p-1