ethanoic acid; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: ethanoic acid; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin Openeye Name: acetic acid; 5,10,15,20-tetrakis(4-pyridyl)-21,22-dihydroporphyrin CAS Name: acetic acid; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: acetic acid; 5,10,15,20-tetrapyridin-4-yl-21,22-dihydroporphyrin Traditional Name: acetic acid; 5,10,15,20-tetrakis(4-pyridyl)-21,22-dihydroporphine Formula: C42H30N8O2 MolecularWeight: 678.74

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9

Isomeric SMILES

CC(=O)O.C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9

InChI

InChI=1S/C40H26N8.C2H4O2/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;1-2(3)4/h1-24,45-46H;1H3,(H,3,4)