21,22-dihydroporphyrin; ethanoic acid

Systemtic Name: 21,22-dihydroporphyrin; ethanoic acid Openeye Name: acetic acid; 21,22-dihydroporphyrin CAS Name: acetic acid; 21,22-dihydroporphyrin IUPAC Name: acetic acid; 21,22-dihydroporphyrin Traditional Name: acetic acid; 21,22-dihydroporphine Formula: C28H30N4O8 MolecularWeight: 550.5598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4.4C2H4O2/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;4*1-2(3)4/h1-12,21-22H;4*1H3,(H,3,4)