zinc 5-(1,3-dithian-2-yl)-10,15,20-triphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-(1,3-dithian-2-yl)-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-(1,3-dithian-2-yl)-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-(1,3-dithian-2-yl)-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-(1,3-dithian-2-yl)-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-(1,3-dithian-2-yl)-10,15,20-triphenyl-porphine-21,22-diide Formula: C42H30N4S2Zn MolecularWeight: 720.2534

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

C1CSC(SC1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C42H30N4S2.Zn/c1-4-11-27(12-5-1)38-30-17-19-32(43-30)39(28-13-6-2-7-14-28)34-21-23-36(45-34)41(42-47-25-10-26-48-42)37-24-22-35(46-37)40(29-15-8-3-9-16-29)33-20-18-31(38)44-33;/h1-9,11-24,42H,10,25-26H2;/q-2;+2