2,17,18,20-tetrakis[4-(iodanylmethyl)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis[4-(iodanylmethyl)phenyl]-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis[4-(iodomethyl)phenyl]-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis[4-(iodomethyl)phenyl]-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis[4-(iodomethyl)phenyl]-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis[4-(iodomethyl)phenyl]-21,22-dihydroporphine Formula: C48H34I4N4 MolecularWeight: 1174.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CI)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=C(C=C7)CI)C8=CC=C(C=C8)CI)C9=CC=C(C=C9)CI

Isomeric SMILES

C1=CC(=CC=C1CI)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=C(C=C7)CI)C8=CC=C(C=C8)CI)C9=CC=C(C=C9)CI

InChI

InChI=1S/C48H34I4N4/c49-25-29-1-9-33(10-2-29)42-23-41-22-39-18-17-37(53-39)21-38-19-20-40(54-38)24-43-44(34-11-3-30(26-50)4-12-34)45(35-13-5-31(27-51)6-14-35)48(56-43)46(47(42)55-41)36-15-7-32(28-52)8-16-36/h1-24,53,55H,25-28H2