21,22-dihydroporphyrin pentachloride

Systemtic Name: 21,22-dihydroporphyrin pentachloride Openeye Name: 21,22-dihydroporphyrin pentachloride CAS Name: 21,22-dihydroporphyrin pentachloride IUPAC Name: 21,22-dihydroporphyrin pentachloride Traditional Name: 21,22-dihydroporphine pentachloride Formula: C100H70Cl5N20-5 MolecularWeight: 1729.0248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/5C20H14N4.5ClH/c5*1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;;;/h5*1-12,21-22H;5*1H/p-5