zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzenesulfonic acid

Systemtic Name: zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzenesulfonic acid Openeye Name: zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzenesulfonic acid CAS Name: zinc 3-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)benzenesulfonic acid IUPAC Name: zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzenesulfonic acid Traditional Name: zinc 3-(10,15,20-triphenylporphine-22,24-diid-5-yl)besylic acid Formula: C44H28N4O3SZn MolecularWeight: 758.19212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC(=CC=C8)S(=O)(=O)O)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC(=CC=C8)S(=O)(=O)O)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C44H28N4O3S.Zn/c49-52(50,51)32-18-10-17-31(27-32)44-39-25-23-37(47-39)42(29-13-6-2-7-14-29)35-21-19-33(45-35)41(28-11-4-1-5-12-28)34-20-22-36(46-34)43(30-15-8-3-9-16-30)38-24-26-40(44)48-38;/h1-27H,(H,49,50,51);/q-2;+2