Naming Developer's Guide

Contents

• Introduction
• Structure to name conversion
• Name to structure conversion

Introduction

ChemAxon's naming toolkit generates names from chemical structures (structure to name, s2n) and converts IUPAC, trivial, drug, CAS names to chemical structures (name to structure, n2s).

Structure to name conversion

Using the API for generating the name of a molecule:

Molecule m = ...;
String name = m.toFormat("name");
String traditionalName = m.toFormat("name:t");

Name to structure conversion

Using the API to convert a name to a structure:

String input = "2,3-dimethylbenzoic acid";
Molecule m = MolImporter.importMol(input, "name");

See user's documentation of n2s here.