gold(3+); 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide; chloride

Systemtic Name: gold(3+); 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide; chloride Openeye Name: gold(3+); 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide; chloride CAS Name: gold(3+); 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide; chloride IUPAC Name: gold(3+); 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide; chloride Traditional Name: gold(3+); 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphine-22,23-diide; chloride Formula: C56H52AuClN4O12 MolecularWeight: 1205.45123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=C(C(=C7)OC)OC)OC)C8=CC(=C(C(=C8)OC)OC)OC)C9=CC(=C(C(=C9)OC)OC)OC)[N-]3.[Cl-].[Au+3]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC(=C(C(=C7)OC)OC)OC)C8=CC(=C(C(=C8)OC)OC)OC)C9=CC(=C(C(=C9)OC)OC)OC)[N-]3.[Cl-].[Au+3]

InChI

InChI=1S/C56H52N4O12.Au.ClH/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6;;/h13-28H,1-12H3;;1H/q-2;+3;/p-1