Reconnected InChI-IUPAC Dataset for Metal-Containing Compounds

This dataset contains 1 million pairs of standard InChI, reconnected InChI, and IUPAC systematic names for metal-containing compounds, intended to support research on InChI-to-IUPAC translation. Each record includes category labels and metal annotations such as category, has_metal and primary_metal, as well as derived length fields: standard_inchi_len, reconnected_inchi_len and iupac_len. The dataset has been cleaned by removing invalid or placeholder names, enforcing InChI and IUPAC format checks, applying length constraints, normalising whitespace, and deduplicating records based on unique structure-name pairs.