palladium(2+); 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonate

Systemtic Name: palladium(2+); 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonate Openeye Name: palladium(2+); 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonate CAS Name: palladium(2+); 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonate IUPAC Name: palladium(2+); 3,5,7,8-tetraphenyl-23,24-dihydroporphyrin-2-sulfonate Traditional Name: palladium(2+); 3,5,7,8-tetraphenyl-23,24-dihydroporphine-2-sulfonate Formula: C88H58N8O6PdS2 MolecularWeight: 1494.00212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)S(=O)(=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9.C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)S(=O)(=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9.[Pd+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)S(=O)(=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9.C1=CC=C(C=C1)C2=C(C3=C(C4=NC(=CC5=CC=C(N5)C=C6C=CC(=CC2=N3)N6)C(=C4C7=CC=CC=C7)S(=O)(=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9.[Pd+2]

InChI

InChI=1S/2C44H30N4O3S.Pd/c2*49-52(50,51)44-37-27-35-24-22-33(46-35)25-32-21-23-34(45-32)26-36-38(28-13-5-1-6-14-28)39(29-15-7-2-8-16-29)42(47-36)40(30-17-9-3-10-18-30)43(48-37)41(44)31-19-11-4-12-20-31;/h2*1-27,45-46H,(H,49,50,51);/q;;+2/p-2