bis[(4-methylphenyl)sulfonylimino]ruthenium; 5,10,15,20-tetraphenylporphyrin-22,24-diide

Systemtic Name: bis[(4-methylphenyl)sulfonylimino]ruthenium; 5,10,15,20-tetraphenylporphyrin-22,24-diide Openeye Name: bis(p-tolylsulfonylimino)ruthenium; 5,10,15,20-tetraphenylporphyrin-22,24-diide CAS Name: bis[(4-methylphenyl)sulfonylimino]ruthenium; 5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: bis[(4-methylphenyl)sulfonylimino]ruthenium; 5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: bis(tosylimino)ruthenium; 5,10,15,20-tetraphenylporphine-22,24-diide Formula: C58H42N6O4RuS2-2 MolecularWeight: 1052.19188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=[Ru]=NS(=O)(=O)C2=CC=C(C=C2)C.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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=[Ru]=NS(=O)(=O)C2=CC=C(C=C2)C.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

InChI

InChI=1S/C44H28N4.2C7H7NO2S.Ru/c1-5-13-29(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*1-6-2-4-7(5-3-6)11(8,9)10;/h1-28H;2*2-5H,1H3;/q-2;;;