ethanoic acid; 2-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: ethanoic acid; 2-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: acetic acid; 2-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: acetic acid; 2-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: acetic acid; 2-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: acetic acid; 2-(4-pyridyl)-21,22-dihydroporphine Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=CC=NC=C6

Isomeric SMILES

CC(=O)O.C1=CC2=CC3=CC(=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2)C6=CC=NC=C6

InChI

InChI=1S/C25H17N5.C2H4O2/c1-2-18-12-20-5-6-22(29-20)15-25-24(16-7-9-26-10-8-16)14-23(30-25)13-21-4-3-19(28-21)11-17(1)27-18;1-2(3)4/h1-15,28,30H;1H3,(H,3,4)