gold(3+); (1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol

Systemtic Name: gold(3+); (1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol Openeye Name: gold(3+); (1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol CAS Name: gold(3+); (1Z,10Z,14Z)-5,10,15,20-tetraphenyl-5-porphyrin-22,23,24-triidol IUPAC Name: gold(3+); (1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol Traditional Name: gold(3+); (1Z,10Z,14Z)-5,10,15,20-tetraphenylporphine-22,23,24-triid-5-ol Formula: C44H29AuN4O MolecularWeight: 826.69381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)(C8=CC=CC=C8)O)C9=CC=CC=C9)[N-]3.[Au+3]

Isomeric SMILES

C1=CC=C(C=C1)/C/2=C/3\C=C/C(=C(/C4=CC=C([N-]4)C(C5=N/C(=C(\C6=CC=C2[N-]6)/C7=CC=CC=C7)/C=C5)(C8=CC=CC=C8)O)\C9=CC=CC=C9)/[N-]3.[Au+3]

InChI

InChI=1S/C44H29N4O.Au/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38;/h1-28,49H;/q-3;+3/b41-33-,42-35-,43-38-;