magnesium 5,10,15,20-tetraphenylporphyrin-22,24-diium-21,23-diide

Systemtic Name: magnesium 5,10,15,20-tetraphenylporphyrin-22,24-diium-21,23-diide Openeye Name: magnesium 5,10,15,20-tetraphenylporphyrin-22,24-diium-21,23-diide CAS Name: magnesium 5,10,15,20-tetraphenylporphyrin-22,24-diium-21,23-diide IUPAC Name: magnesium 5,10,15,20-tetraphenylporphyrin-22,24-diium-21,23-diide Traditional Name: magnesium 5,10,15,20-tetraphenylporphine-22,24-diium-21,23-diide Formula: C44H30MgN4+2 MolecularWeight: 639.0408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=[NH+]3)C(=C4C=CC(=C(C5=[NH+]C(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Mg+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=[NH+]3)C(=C4C=CC(=C(C5=[NH+]C(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Mg+2]

InChI

InChI=1S/C44H28N4.Mg/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;/h1-28H;/q-2;+2/p+2