zinc S-[[3-[10,15,20-tris[3-(ethanoylsulfanylmethyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]methyl] ethanethioate

Systemtic Name: zinc S-[[3-[10,15,20-tris[3-(ethanoylsulfanylmethyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]methyl] ethanethioate Openeye Name: zinc S-[[3-[10,15,20-tris[3-(acetylsulfanylmethyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]methyl] ethanethioate CAS Name: zinc ethanethioic acid S-[[3-[10,15,20-tris[3-[(acetylthio)methyl]phenyl]-5-porphyrin-22,23-diidyl]phenyl]methyl] ester IUPAC Name: zinc S-[[3-[10,15,20-tris[3-(acetylsulfanylmethyl)phenyl]porphyrin-22,23-diid-5-yl]phenyl]methyl] ethanethioate Traditional Name: zinc ethanethioic acid S-[3-[10,15,20-tris[3-[(acetylthio)methyl]phenyl]porphine-22,23-diid-5-yl]benzyl] ester Formula: C56H44N4O4S4Zn MolecularWeight: 1030.64196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)CSC(=O)C)C8=CC(=CC=C8)CSC(=O)C)C9=CC(=CC=C9)CSC(=O)C)[N-]3.[Zn+2]

Isomeric SMILES

CC(=O)SCC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)CSC(=O)C)C8=CC(=CC=C8)CSC(=O)C)C9=CC(=CC=C9)CSC(=O)C)[N-]3.[Zn+2]

InChI

InChI=1S/C56H44N4O4S4.Zn/c1-33(61)65-29-37-9-5-13-41(25-37)53-45-17-19-47(57-45)54(42-14-6-10-38(26-42)30-66-34(2)62)49-21-23-51(59-49)56(44-16-8-12-40(28-44)32-68-36(4)64)52-24-22-50(60-52)55(48-20-18-46(53)58-48)43-15-7-11-39(27-43)31-67-35(3)63;/h5-28H,29-32H2,1-4H3;/q-2;+2