zinc 5-(4-methylsulfanylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5-(4-methylsulfanylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5-(4-methylsulfanylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5-[4-(methylthio)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 5-(4-methylsulfanylphenyl)-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5,10,15-trimesityl-20-[4-(methylthio)phenyl]porphine-22,23-diide Formula: C54H48N4SZn MolecularWeight: 850.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)SC)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)SC)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C54H48N4S.Zn/c1-29-23-32(4)48(33(5)24-29)52-42-17-15-40(55-42)51(38-11-13-39(59-10)14-12-38)41-16-18-43(56-41)53(49-34(6)25-30(2)26-35(49)7)45-20-22-47(58-45)54(46-21-19-44(52)57-46)50-36(8)27-31(3)28-37(50)9;/h11-28H,1-10H3;/q-2;+2