5,15-bis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(1,2-dimethyl-4-pyrazol-2-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1,2-dimethylpyrazol-2-ium-4-yl)-21,22-dihydroporphine Formula: C30H28N8+2 MolecularWeight: 500.59692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=[N+]1C)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CN([N+](=C7)C)C)C=C4)N3

Isomeric SMILES

CN1C=C(C=[N+]1C)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CN([N+](=C7)C)C)C=C4)N3

InChI

InChI=1S/C30H28N8/c1-35-15-19(16-36(35)2)29-25-9-5-21(31-25)13-23-7-11-27(33-23)30(20-17-37(3)38(4)18-20)28-12-8-24(34-28)14-22-6-10-26(29)32-22/h5-18,31-32H,1-4H3/q+2