23-oxidanyl-5,10,15,20-tetraphenyl-22H-porphyrin-2,3-dione

Systemtic Name: 23-oxidanyl-5,10,15,20-tetraphenyl-22H-porphyrin-2,3-dione Openeye Name: 23-hydroxy-5,10,15,20-tetraphenyl-22H-porphyrin-2,3-dione CAS Name: 23-hydroxy-5,10,15,20-tetraphenyl-22H-porphyrin-2,3-dione IUPAC Name: 23-hydroxy-5,10,15,20-tetraphenyl-22H-porphyrin-2,3-dione Traditional Name: 23-hydroxy-5,10,15,20-tetraphenyl-22H-porphine-2,3-quinone Formula: C44H28N4O3 MolecularWeight: 660.71812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6O)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C(=O)C4=O)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6O)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C(=O)C4=O)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H28N4O3/c49-43-41-39(29-17-9-3-10-18-29)33-23-21-31(45-33)37(27-13-5-1-6-14-27)35-25-26-36(48(35)51)38(28-15-7-2-8-16-28)32-22-24-34(46-32)40(42(47-41)44(43)50)30-19-11-4-12-20-30/h1-26,45,51H