5,10,15,20-tetrakis(4-chlorophenyl)-2-nitro-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-chlorophenyl)-2-nitro-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-chlorophenyl)-2-nitro-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-chlorophenyl)-2-nitro-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-chlorophenyl)-2-nitro-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-chlorophenyl)-2-nitro-21,22-dihydroporphine Formula: C44H25Cl4N5O2 MolecularWeight: 797.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)[N+](=O)[O-])C9=CC=C(C=C9)Cl)N3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)[N+](=O)[O-])C9=CC=C(C=C9)Cl)N3)Cl

InChI

InChI=1S/C44H25Cl4N5O2/c45-28-9-1-24(2-10-28)40-32-17-18-33(49-32)41(25-3-11-29(46)12-4-25)35-21-22-37(51-35)43(27-7-15-31(48)16-8-27)44-39(53(54)55)23-38(52-44)42(36-20-19-34(40)50-36)26-5-13-30(47)14-6-26/h1-23,50,52H