tetrasodium 21,22-dihydroporphyrin

Systemtic Name: tetrasodium 21,22-dihydroporphyrin Openeye Name: tetrasodium 21,22-dihydroporphyrin CAS Name: tetrasodium 21,22-dihydroporphyrin IUPAC Name: tetrasodium 21,22-dihydroporphyrin Traditional Name: tetrasodium 21,22-dihydroporphine Formula: C80H56N16Na4+4 MolecularWeight: 1333.36692

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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.[Na+].[Na+].[Na+].[Na+]

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.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C20H14N4.4Na/c4*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;;;;/h4*1-12,21-22H;;;;/q;;;;4*+1