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

Systemtic Name: 21-oxidanyl-5,10,15,20-tetraphenyl-23H-porphyrin-2,3-dione Openeye Name: 21-hydroxy-5,10,15,20-tetraphenyl-23H-porphyrin-2,3-dione CAS Name: 21-hydroxy-5,10,15,20-tetraphenyl-23H-porphyrin-2,3-dione IUPAC Name: 21-hydroxy-5,10,15,20-tetraphenyl-23H-porphyrin-2,3-dione Traditional Name: 21-hydroxy-5,10,15,20-tetraphenyl-23H-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(=N3)C(=C4C(=O)C(=O)C(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)N4O)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(=O)C(=O)C(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)N4O)C9=CC=CC=C9

InChI

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