ruthenium(2+); triethyl-[2-[4-(triethylazaniumyl)oxycarbonylpyridin-2-yl]-6-[4-(triethylazaniumyl)oxycarbonyl-6-[4-(triethylazaniumyl)oxycarbonylpyridin-2-yl]pyridin-2-yl]pyridin-4-yl]carbonyloxy-azanium; diisothiocyanate

Systemtic Name: ruthenium(2+); triethyl-[2-[4-(triethylazaniumyl)oxycarbonylpyridin-2-yl]-6-[4-(triethylazaniumyl)oxycarbonyl-6-[4-(triethylazaniumyl)oxycarbonylpyridin-2-yl]pyridin-2-yl]pyridin-4-yl]carbonyloxy-azanium; diisothiocyanate Openeye Name: ruthenium(2+); triethyl-[2-[4-(triethylammonio)oxycarbonyl-2-pyridyl]-6-[4-(triethylammonio)oxycarbonyl-6-[4-(triethylammonio)oxycarbonyl-2-pyridyl]-2-pyridyl]pyridine-4-carbonyl]oxy-ammonium; diisothiocyanate CAS Name: ruthenium(2+); triethyl-[oxo-[2-[4-[oxo-(triethylammonio)oxymethyl]-6-[4-[oxo-(triethylammonio)oxymethyl]-6-[4-[oxo-(triethylammonio)oxymethyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]methoxy]ammonium; diisothiocyanate IUPAC Name: ruthenium(2+); triethyl-[2-[4-(triethylazaniumyl)oxycarbonylpyridin-2-yl]-6-[4-(triethylazaniumyl)oxycarbonyl-6-[4-(triethylazaniumyl)oxycarbonylpyridin-2-yl]pyridin-2-yl]pyridine-4-carbonyl]oxyazanium; diisothiocyanate Traditional Name: ruthenium(2+); triethyl-[2-[4-(triethylammonio)oxycarbonyl-2-pyridyl]-6-[4-(triethylammonio)oxycarbonyl-6-[4-(triethylammonio)oxycarbonyl-2-pyridyl]-2-pyridyl]isonicotinoyl]oxy-ammonium; diisothiocyanate Formula: C50H70N10O8RuS2+4 MolecularWeight: 1104.353

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)OC(=O)C1=CC(=NC=C1)C2=NC(=CC(=C2)C(=O)O[N+](CC)(CC)CC)C3=CC(=CC(=N3)C4=NC=CC(=C4)C(=O)O[N+](CC)(CC)CC)C(=O)O[N+](CC)(CC)CC.C(=[N-])=S.C(=[N-])=S.[Ru+2]

Isomeric SMILES

CC[N+](CC)(CC)OC(=O)C1=CC(=NC=C1)C2=NC(=CC(=C2)C(=O)O[N+](CC)(CC)CC)C3=CC(=CC(=N3)C4=NC=CC(=C4)C(=O)O[N+](CC)(CC)CC)C(=O)O[N+](CC)(CC)CC.C(=[N-])=S.C(=[N-])=S.[Ru+2]

InChI

InChI=1S/C48H70N8O8.2CNS.Ru/c1-13-53(14-2,15-3)61-45(57)35-25-27-49-39(29-35)41-31-37(47(59)63-55(19-7,20-8)21-9)33-43(51-41)44-34-38(48(60)64-56(22-10,23-11)24-12)32-42(52-44)40-30-36(26-28-50-40)46(58)62-54(16-4,17-5)18-6;2*2-1-3;/h25-34H,13-24H2,1-12H3;;;/q+4;2*-1;+2