5,10,15,20-tetrakis(4-chlorophenyl)-23-oxidanyl-21H-porphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-chlorophenyl)-23-oxidanyl-21H-porphyrin Openeye Name: 5,10,15,20-tetrakis(4-chlorophenyl)-23-hydroxy-21H-porphyrin CAS Name: 5,10,15,20-tetrakis(4-chlorophenyl)-23-hydroxy-21H-porphyrin IUPAC Name: 5,10,15,20-tetrakis(4-chlorophenyl)-23-hydroxy-21H-porphyrin Traditional Name: 5,10,15,20-tetrakis(4-chlorophenyl)-23-hydroxy-21H-porphine Formula: C44H26Cl4N4O MolecularWeight: 768.51544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5O)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5O)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl

InChI

InChI=1S/C44H26Cl4N4O/c45-29-9-1-25(2-10-29)41-33-17-18-34(49-33)42(26-3-11-30(46)12-4-26)36-20-22-38(51-36)44(28-7-15-32(48)16-8-28)40-24-23-39(52(40)53)43(37-21-19-35(41)50-37)27-5-13-31(47)14-6-27/h1-24,49,53H