zinc 5-(4-iodophenyl)-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide

Systemtic Name: zinc 5-(4-iodophenyl)-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide Openeye Name: zinc 5-(4-iodophenyl)-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5-(4-iodophenyl)-15-[4-[2-[3-(methylthio)phenyl]ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide IUPAC Name: zinc 5-(4-iodophenyl)-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-23,24-diide Traditional Name: zinc 5-(4-iodophenyl)-10,20-dimesityl-15-[4-[2-[3-(methylthio)phenyl]ethynyl]phenyl]porphine-23,24-diide Formula: C59H45IN4SZn MolecularWeight: 1034.39387

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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)I)C8=C(C=C(C=C8C)C)C)C9=CC=C(C=C9)C#CC1=CC(=CC=C1)SC)[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)I)C8=C(C=C(C=C8C)C)C)C9=CC=C(C=C9)C#CC1=CC(=CC=C1)SC)[N-]3)C.[Zn+2]

InChI

InChI=1S/C59H45IN4S.Zn/c1-34-29-36(3)54(37(4)30-34)58-50-25-21-46(61-50)56(42-15-13-40(14-16-42)11-12-41-9-8-10-45(33-41)65-7)47-22-26-51(62-47)59(55-38(5)31-35(2)32-39(55)6)53-28-24-49(64-53)57(48-23-27-52(58)63-48)43-17-19-44(60)20-18-43;/h8-10,13-33H,1-7H3;/q-2;+2