ethanoic acid; manganese(2+); 5,10,15,20-tetraethyl-21,22-dihydroporphyrin

Systemtic Name: ethanoic acid; manganese(2+); 5,10,15,20-tetraethyl-21,22-dihydroporphyrin Openeye Name: manganous; acetic acid; 5,10,15,20-tetraethyl-21,22-dihydroporphyrin CAS Name: acetic acid; manganese(2+); 5,10,15,20-tetraethyl-21,22-dihydroporphyrin IUPAC Name: acetic acid; manganese(2+); 5,10,15,20-tetraethyl-21,22-dihydroporphyrin Traditional Name: manganous; acetic acid; 5,10,15,20-tetraethyl-21,22-dihydroporphine Formula: C30H34MnN4O2+2 MolecularWeight: 537.554609

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CC)CC)CC)N2.CC(=O)O.[Mn+2]

Isomeric SMILES

CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CC)CC)CC)N2.CC(=O)O.[Mn+2]

InChI

InChI=1S/C28H30N4.C2H4O2.Mn/c1-5-17-21-9-11-23(29-21)18(6-2)25-13-15-27(31-25)20(8-4)28-16-14-26(32-28)19(7-3)24-12-10-22(17)30-24;1-2(3)4;/h9-16,29-30H,5-8H2,1-4H3;1H3,(H,3,4);/q;;+2