Tag: IUPAC

Most often we have the case where we have a list of IUPAC names and we want to convert them to a list of SMILES for query processing. There are two ways that I know how to do it. 1,1,1,2-tetrachloroethane 1,1,1-trichloroethane 1,1,1-trifluoropropan-2-ol 1,1,2,2-tetrachloroethane 1,1,2-trich...

Unique and unambiguous: Each name corresponds to a single structure, and vice versa. Based on parent chain: The longest continuous chain of carbon atoms forms the base name. Functional groups: Different functional groups have specific suffixes attached to the base name. Subst...