zinc 2,3,7,8,12,13,17,18-octaoctoxyporphyrin-21,22-diide

Systemtic Name: zinc 2,3,7,8,12,13,17,18-octaoctoxyporphyrin-21,22-diide Openeye Name: zinc 2,3,7,8,12,13,17,18-octaoctoxyporphyrin-21,22-diide CAS Name: zinc 2,3,7,8,12,13,17,18-octaoctoxyporphyrin-21,22-diide IUPAC Name: zinc 2,3,7,8,12,13,17,18-octaoctoxyporphyrin-21,22-diide Traditional Name: zinc 2,3,7,8,12,13,17,18-octaoctoxyporphine-21,22-diide Formula: C84H140N4O8Zn MolecularWeight: 1399.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)OCCCCCCCC)OCCCCCCCC)C(=C4OCCCCCCCC)OCCCCCCCC)C(=C3OCCCCCCCC)OCCCCCCCC)OCCCCCCCC.[Zn+2]

Isomeric SMILES

CCCCCCCCOC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)OCCCCCCCC)OCCCCCCCC)C(=C4OCCCCCCCC)OCCCCCCCC)C(=C3OCCCCCCCC)OCCCCCCCC)OCCCCCCCC.[Zn+2]

InChI

InChI=1S/C84H140N4O8.Zn/c1-9-17-25-33-41-49-57-89-77-69-65-71-79(91-59-51-43-35-27-19-11-3)81(93-61-53-45-37-29-21-13-5)73(86-71)67-75-83(95-63-55-47-39-31-23-15-7)84(96-64-56-48-40-32-24-16-8)76(88-75)68-74-82(94-62-54-46-38-30-22-14-6)80(92-60-52-44-36-28-20-12-4)72(87-74)66-70(85-69)78(77)90-58-50-42-34-26-18-10-2;/h65-68H,9-64H2,1-8H3;/q-2;+2