dizinc 2-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexyl-porphyrin-21,24-diide

Systemtic Name: dizinc 2-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexyl-porphyrin-21,24-diide Openeye Name: dizinc 2-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexyl-porphyrin-21,24-diide CAS Name: dizinc 2-(10,20-dihexyl-5-porphyrin-21,22-diidyl)-5,15-dihexylporphyrin-21,24-diide IUPAC Name: dizinc 2-(10,20-dihexylporphyrin-21,22-diid-5-yl)-5,15-dihexylporphyrin-21,24-diide Traditional Name: dizinc 2-(10,20-dihexylporphine-21,22-diid-5-yl)-5,15-dihexyl-porphine-21,24-diide Formula: C64H70N8Zn2 MolecularWeight: 1082.1122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=CC3=C(C=C([N-]3)C(=C4C=CC(=N4)C=C5C=CC1=N5)CCCCCC)C6=C7C=CC(=C(C8=NC(=CC9=NC(=C(C1=CC=C6[N-]1)CCCCCC)C=C9)C=C8)CCCCCC)[N-]7)[N-]2.[Zn+2].[Zn+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=CC3=C(C=C([N-]3)C(=C4C=CC(=N4)C=C5C=CC1=N5)CCCCCC)C6=C7C=CC(=C(C8=NC(=CC9=NC(=C(C1=CC=C6[N-]1)CCCCCC)C=C9)C=C8)CCCCCC)[N-]7)[N-]2.[Zn+2].[Zn+2]

InChI

InChI=1S/C64H70N8.2Zn/c1-5-9-13-17-21-48-53-30-25-43(65-53)40-46-28-33-57(68-46)51(24-20-16-12-8-4)63-42-52(62(72-63)41-47-29-34-54(48)69-47)64-60-37-35-58(70-60)49(22-18-14-10-6-2)55-31-26-44(66-55)39-45-27-32-56(67-45)50(23-19-15-11-7-3)59-36-38-61(64)71-59;;/h25-42H,5-24H2,1-4H3;;/q-4;2*+2