ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; hydrate

Systemtic Name: ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; hydrate Openeye Name: ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; hydrate CAS Name: ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; hydrate IUPAC Name: ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide; hydrate Traditional Name: ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphine-22,24-diide; hydrate Formula: C92H70N8O3Ru2 MolecularWeight: 1537.732

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Ru+2].[Ru+2]

Isomeric SMILES

CCO.CCO.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O.[Ru+2].[Ru+2]

InChI

InChI=1S/2C44H28N4.2C2H6O.H2O.2Ru/c2*1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1-2-3;;;/h2*1-28H;2*3H,2H2,1H3;1H2;;/q2*-2;;;;2*+2