zinc 5-ethynyl-10,15,20-triphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-ethynyl-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-ethynyl-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-ethynyl-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-ethynyl-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-ethynyl-10,15,20-triphenyl-porphine-21,22-diide Formula: C40H24N4Zn MolecularWeight: 626.05436

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)C=C3)C8=CC=CC=C8)[N-]2.[Zn+2]

Isomeric SMILES

C#CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C7=CC=CC=C7)C=C3)C8=CC=CC=C8)[N-]2.[Zn+2]

InChI

InChI=1S/C40H24N4.Zn/c1-2-29-30-18-20-32(41-30)38(26-12-6-3-7-13-26)34-22-24-36(43-34)40(28-16-10-5-11-17-28)37-25-23-35(44-37)39(27-14-8-4-9-15-27)33-21-19-31(29)42-33;/h1,3-25H;/q-2;+2