ethanoic acid; 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin

Systemtic Name: ethanoic acid; 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin Openeye Name: acetic acid; 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin CAS Name: acetic acid; 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin IUPAC Name: acetic acid; 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin Traditional Name: acetic acid; 2-(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphine Formula: C34H37N5O8 MolecularWeight: 643.68628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CN1CC=C(C=C1)C2=C3C=C4C=CC(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6

InChI

InChI=1S/C26H21N5.4C2H4O2/c1-31-10-8-17(9-11-31)25-15-24-14-22-5-4-20(28-22)12-18-2-3-19(27-18)13-21-6-7-23(29-21)16-26(25)30-24;4*1-2(3)4/h2-10,12-16,28,30H,11H2,1H3;4*1H3,(H,3,4)