gold; 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,23-diide

Systemtic Name: gold; 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,23-diide Openeye Name: gold; 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,23-diide CAS Name: gold; 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,23-diide IUPAC Name: gold; 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,23-diide Traditional Name: gold; 5,10,15,20-tetrakis(4-methoxyphenyl)porphine-22,23-diide Formula: C48H36AuN4O4-2 MolecularWeight: 929.79039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)[N-]3.[Au]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)[N-]3.[Au]

InChI

InChI=1S/C48H36N4O4.Au/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;