21,22-dihydroporphyrin dichloride

Systemtic Name: 21,22-dihydroporphyrin dichloride Openeye Name: 21,22-dihydroporphyrin dichloride CAS Name: 21,22-dihydroporphyrin dichloride IUPAC Name: 21,22-dihydroporphyrin dichloride Traditional Name: 21,22-dihydroporphine dichloride Formula: C40H28Cl2N8-2 MolecularWeight: 691.60992

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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.[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.[Cl-].[Cl-]

InChI

InChI=1S/2C20H14N4.2ClH/c2*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;;/h2*1-12,21-22H;2*1H/p-2