zinc 10-(2-methylphenyl)sulfanyl-5,15-diphenyl-porphyrin-22,23-diide

Systemtic Name: zinc 10-(2-methylphenyl)sulfanyl-5,15-diphenyl-porphyrin-22,23-diide Openeye Name: zinc 10-(o-tolylsulfanyl)-5,15-diphenyl-porphyrin-22,23-diide CAS Name: zinc 10-[(2-methylphenyl)thio]-5,15-diphenylporphyrin-22,23-diide IUPAC Name: zinc 10-(2-methylphenyl)sulfanyl-5,15-diphenylporphyrin-22,23-diide Traditional Name: zinc 10-(o-tolylthio)-5,15-diphenyl-porphine-22,23-diide Formula: C39H26N4SZn MolecularWeight: 648.12454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=CC=C1SC2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C=C4)C8=CC=CC=C8)[N-]3.[Zn+2]

InChI

InChI=1S/C39H26N4S.Zn/c1-25-10-8-9-15-36(25)44-39-34-22-20-32(42-34)37(26-11-4-2-5-12-26)30-18-16-28(40-30)24-29-17-19-31(41-29)38(27-13-6-3-7-14-27)33-21-23-35(39)43-33;/h2-24H,1H3;/q-2;+2