zinc S-[[3-[15-[3-(ethanoylsulfanylmethyl)phenyl]-10,20-bis(3-iodanylphenyl)porphyrin-21,22-diid-5-yl]phenyl]methyl] ethanethioate

Systemtic Name: zinc S-[[3-[15-[3-(ethanoylsulfanylmethyl)phenyl]-10,20-bis(3-iodanylphenyl)porphyrin-21,22-diid-5-yl]phenyl]methyl] ethanethioate Openeye Name: zinc S-[[3-[15-[3-(acetylsulfanylmethyl)phenyl]-10,20-bis(3-iodophenyl)porphyrin-21,22-diid-5-yl]phenyl]methyl] ethanethioate CAS Name: zinc ethanethioic acid S-[[3-[15-[3-[(acetylthio)methyl]phenyl]-10,20-bis(3-iodophenyl)-5-porphyrin-21,22-diidyl]phenyl]methyl] ester IUPAC Name: zinc S-[[3-[15-[3-(acetylsulfanylmethyl)phenyl]-10,20-bis(3-iodophenyl)porphyrin-21,22-diid-5-yl]phenyl]methyl] ethanethioate Traditional Name: zinc ethanethioic acid S-[3-[15-[3-[(acetylthio)methyl]phenyl]-10,20-bis(3-iodophenyl)porphine-21,22-diid-5-yl]benzyl] ester Formula: C50H34I2N4O2S2Zn MolecularWeight: 1106.1785

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC=C7)I)C=C5)C8=CC(=CC=C8)CSC(=O)C)C=C4)C9=CC(=CC=C9)I)[N-]3.[Zn+2]

Isomeric SMILES

CC(=O)SCC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC=C7)I)C=C5)C8=CC(=CC=C8)CSC(=O)C)C=C4)C9=CC(=CC=C9)I)[N-]3.[Zn+2]

InChI

InChI=1S/C50H34I2N4O2S2.Zn/c1-29(57)59-27-31-7-3-9-33(23-31)47-39-15-19-43(53-39)49(35-11-5-13-37(51)25-35)45-21-17-41(55-45)48(34-10-4-8-32(24-34)28-60-30(2)58)42-18-22-46(56-42)50(44-20-16-40(47)54-44)36-12-6-14-38(52)26-36;/h3-26H,27-28H2,1-2H3;/q-2;+2