cobalt(3+); propan-2-one; 5,10,15,20-tetraphenylporphyrin-22,24-diide

Systemtic Name: cobalt(3+); propan-2-one; 5,10,15,20-tetraphenylporphyrin-22,24-diide Openeye Name: cobaltic; propan-2-one; 5,10,15,20-tetraphenylporphyrin-22,24-diide CAS Name: cobalt(3+); 2-propanone; 5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: cobalt(3+); propan-2-one; 5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cobaltic; acetone; 5,10,15,20-tetraphenylporphine-22,24-diide Formula: C47H33CoN4O MolecularWeight: 728.72432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[CH2-].C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+3]

Isomeric SMILES

CC(=O)[CH2-].C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Co+3]

InChI

InChI=1S/C44H28N4.C3H5O.Co/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-3(2)4;/h1-28H;1H2,2H3;/q-2;-1;+3