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

Systemtic Name: ethanol; methanidylidynesulfanium; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide Openeye Name: ethanol; methanidylidynesulfonium; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide CAS Name: ethanol; methanidylidynesulfonium; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: ethanol; methanidylidynesulfanium; ruthenium(2+); 5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: carbon monosulfide; ethanol; ruthenium(2+); 5,10,15,20-tetraphenylporphine-22,24-diide Formula: C47H34N4ORuS MolecularWeight: 803.93406

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Descriptors Computed from Structure

Canonical SMILES:

CCO.[C-]#[S+].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.[Ru+2]

Isomeric SMILES

CCO.[C-]#[S+].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.[Ru+2]

InChI

InChI=1S/C44H28N4.C2H6O.CS.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;1-2-3;1-2;/h1-28H;3H,2H2,1H3;;/q-2;;;+2