manganese(2+); 3-sulfanylpropanoate; 3-sulfanylpropanoic acid; trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]azanium

Systemtic Name: manganese(2+); 3-sulfanylpropanoate; 3-sulfanylpropanoic acid; trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]azanium Openeye Name: manganous; 3-sulfanylpropanoate; 3-sulfanylpropanoic acid; trimethyl-[4-[10,15,20-tris[4-(trimethylammonio)phenyl]porphyrin-21,22-diid-5-yl]phenyl]ammonium CAS Name: manganese(2+); 3-mercaptopropanoate; 3-mercaptopropanoic acid; trimethyl-[4-[10,15,20-tris[4-(trimethylammonio)phenyl]-5-porphyrin-21,22-diidyl]phenyl]ammonium IUPAC Name: manganese(2+); 3-sulfanylpropanoate; 3-sulfanylpropanoic acid; trimethyl-[4-[10,15,20-tris[4-(trimethylazaniumyl)phenyl]porphyrin-21,22-diid-5-yl]phenyl]azanium Traditional Name: manganous; 3-mercaptopropionate; 3-mercaptopropionic acid; trimethyl-[4-[10,15,20-tris[4-(trimethylammonio)phenyl]porphine-21,22-diid-5-yl]phenyl]ammonium Formula: C71H86MnN8O10S5 MolecularWeight: 1426.753189

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)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)[N+](C)(C)C)C8=CC=C(C=C8)[N+](C)(C)C)C9=CC=C(C=C9)[N+](C)(C)C)[N-]3.C(CS)C(=O)O.C(CS)C(=O)[O-].C(CS)C(=O)[O-].C(CS)C(=O)[O-].C(CS)C(=O)[O-].[Mn+2]

Isomeric SMILES

C[N+](C)(C)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)[N+](C)(C)C)C8=CC=C(C=C8)[N+](C)(C)C)C9=CC=C(C=C9)[N+](C)(C)C)[N-]3.C(CS)C(=O)O.C(CS)C(=O)[O-].C(CS)C(=O)[O-].C(CS)C(=O)[O-].C(CS)C(=O)[O-].[Mn+2]

InChI

InChI=1S/C56H60N8.5C3H6O2S.Mn/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;5*4-3(5)1-2-6;/h13-36H,1-12H3;5*6H,1-2H2,(H,4,5);/q+2;;;;;;+2/p-4