oxidanylidenetitanium(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide

Systemtic Name: oxidanylidenetitanium(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide Openeye Name: oxotitanium(2+); 5,10,15,20-tetrakis(4-pyridyl)porphyrin-22,24-diide CAS Name: oxotitanium(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide IUPAC Name: oxotitanium(2+); 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide Traditional Name: ketotitanium(2+); 5,10,15,20-tetrakis(4-pyridyl)porphine-22,24-diide Formula: C40H24N8OTi MolecularWeight: 680.53856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.O=[Ti+2]

Isomeric SMILES

C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.O=[Ti+2]

InChI

InChI=1S/C40H24N8.O.Ti/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;;/h1-24H;;/q-2;;+2