cobalt(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: cobalt(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin Openeye Name: cobaltous 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin CAS Name: cobalt(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: cobalt(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin Traditional Name: cobaltous 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphine Formula: C48H38CoN4O4+2 MolecularWeight: 793.77292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3.[Co+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3.[Co+2]

InChI

InChI=1S/C48H38N4O4.Co/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28,49-50H,1-4H3;/q;+2