zinc 10-(4-methoxyphenyl)sulfanyl-5,15-diphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 10-(4-methoxyphenyl)sulfanyl-5,15-diphenyl-porphyrin-22,24-diide Openeye Name: zinc 10-(4-methoxyphenyl)sulfanyl-5,15-diphenyl-porphyrin-22,24-diide CAS Name: zinc 10-[(4-methoxyphenyl)thio]-5,15-diphenylporphyrin-22,24-diide IUPAC Name: zinc 10-(4-methoxyphenyl)sulfanyl-5,15-diphenylporphyrin-22,24-diide Traditional Name: zinc 10-[(4-methoxyphenyl)thio]-5,15-diphenyl-porphine-22,24-diide Formula: C39H26N4OSZn MolecularWeight: 664.12394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)[N-]4)C8=CC=CC=C8.[Zn+2]

InChI

InChI=1S/C39H26N4OS.Zn/c1-44-29-14-16-30(17-15-29)45-39-35-22-20-33(42-35)37(25-8-4-2-5-9-25)31-18-12-27(40-31)24-28-13-19-32(41-28)38(26-10-6-3-7-11-26)34-21-23-36(39)43-34;/h2-24H,1H3;/q-2;+2