zinc 5,15-diphenyl-10-propylsulfanyl-porphyrin-22,24-diide

Systemtic Name: zinc 5,15-diphenyl-10-propylsulfanyl-porphyrin-22,24-diide Openeye Name: zinc 5,15-diphenyl-10-propylsulfanyl-porphyrin-22,24-diide CAS Name: zinc 5,15-diphenyl-10-(propylthio)porphyrin-22,24-diide IUPAC Name: zinc 5,15-diphenyl-10-propylsulfanylporphyrin-22,24-diide Traditional Name: zinc 5,15-diphenyl-10-(propylthio)porphine-22,24-diide Formula: C35H26N4SZn MolecularWeight: 600.08174

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Zn+2]

Isomeric SMILES

CCCSC1=C2C=CC(=N2)C(=C3C=CC(=CC4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)[N-]3)C7=CC=CC=C7.[Zn+2]

InChI

InChI=1S/C35H26N4S.Zn/c1-2-21-40-35-31-19-17-29(38-31)33(23-9-5-3-6-10-23)27-15-13-25(36-27)22-26-14-16-28(37-26)34(24-11-7-4-8-12-24)30-18-20-32(35)39-30;/h3-20,22H,2,21H2,1H3;/q-2;+2