5,10,15,20-tetrakis(1-propylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraperchlorate

Systemtic Name: 5,10,15,20-tetrakis(1-propylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraperchlorate Openeye Name: 5,10,15,20-tetrakis(1-propylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraperchlorate CAS Name: 5,10,15,20-tetrakis(1-propyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin tetraperchlorate IUPAC Name: 5,10,15,20-tetrakis(1-propylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraperchlorate Traditional Name: 5,10,15,20-tetrakis(1-propylpyridin-1-ium-4-yl)-21,22-dihydroporphine tetraperchlorate Formula: C52H54Cl4N8O16 MolecularWeight: 1188.84116

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCC)C8=CC=[N+](C=C8)CCC)C9=CC=[N+](C=C9)CCC)N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CCC)C8=CC=[N+](C=C8)CCC)C9=CC=[N+](C=C9)CCC)N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C52H53N8.4ClHO4/c1-5-25-57-29-17-37(18-30-57)49-41-9-11-43(53-41)50(38-19-31-58(26-6-2)32-20-38)45-13-15-47(55-45)52(40-23-35-60(28-8-4)36-24-40)48-16-14-46(56-48)51(44-12-10-42(49)54-44)39-21-33-59(27-7-3)34-22-39;4*2-1(3,4)5/h9-24,29-36H,5-8,25-28H2,1-4H3,(H,53,54,55,56);4*(H,2,3,4,5)/q+3;;;;/p-3