zinc 5-[3-[3-methylidene-1-(phenylsulfonyl)pent-4-enyl]-4-nitro-phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-[3-[3-methylidene-1-(phenylsulfonyl)pent-4-enyl]-4-nitro-phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-[3-[1-(benzenesulfonyl)-3-methylene-pent-4-enyl]-4-nitro-phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-[3-[1-(benzenesulfonyl)-3-methylenepent-4-enyl]-4-nitrophenyl]-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-[3-[1-(benzenesulfonyl)-3-methylidenepent-4-enyl]-4-nitrophenyl]-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-[3-(1-besyl-3-methylene-pent-4-enyl)-4-nitro-phenyl]-10,15,20-triphenyl-porphine-22,24-diide Formula: C56H39N5O4SZn MolecularWeight: 943.41396

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=C)CC(C1=C(C=CC(=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9)[N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1.[Zn+2]

Isomeric SMILES

C=CC(=C)CC(C1=C(C=CC(=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9)[N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1.[Zn+2]

InChI

InChI=1S/C56H39N5O4S.Zn/c1-3-36(2)34-52(66(64,65)41-22-14-7-15-23-41)42-35-40(24-33-51(42)61(62)63)56-49-31-29-47(59-49)54(38-18-10-5-11-19-38)45-27-25-43(57-45)53(37-16-8-4-9-17-37)44-26-28-46(58-44)55(39-20-12-6-13-21-39)48-30-32-50(56)60-48;/h3-33,35,52H,1-2,34H2;/q-2;+2