zinc 5-[4-[2-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide

Systemtic Name: zinc 5-[4-[2-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide Openeye Name: zinc 5-[4-[2-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide CAS Name: zinc 5-[4-[2-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]-15-[4-[2-[3-(methylthio)phenyl]ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide IUPAC Name: zinc 5-[4-[2-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]-15-[4-[2-(3-methylsulfanylphenyl)ethynyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diide Traditional Name: zinc 5-[4-[2-[4-[2-(4-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]-10,20-dimesityl-15-[4-[2-[3-(methylthio)phenyl]ethynyl]phenyl]porphine-22,24-diide Formula: C77H54N4SZn MolecularWeight: 1132.75346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC8=CC(=CC=C8)SC)C9=C(C=C(C=C9C)C)C)C=C4)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C#CC1=CC=C(C=C1)C#C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC8=CC(=CC=C8)SC)C9=C(C=C(C=C9C)C)C)C=C4)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C#CC1=CC=C(C=C1)C#C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C77H54N4S.Zn/c1-9-54-13-15-55(16-14-54)17-18-56-19-21-57(22-20-56)23-24-58-27-31-61(32-28-58)74-64-35-39-68(78-64)76(72-50(4)43-48(2)44-51(72)5)70-41-37-66(80-70)75(62-33-29-59(30-34-62)25-26-60-11-10-12-63(47-60)82-8)67-38-42-71(81-67)77(69-40-36-65(74)79-69)73-52(6)45-49(3)46-53(73)7;/h1,10-16,19-22,27-47H,2-8H3;/q-2;+2