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IUPAC/InChI Trust InChI Licence 1.0 New license. Support for elements 105-112 added. CML support removed. InChI v. 1.05 Jan. 2017 IUPAC/InChI Trust InChI Licence 1.0 Support for elements 113-118 added. Experimental polymer support. Experimental large molecule support. RInChI v. 1.00 March 2017 IUPAC/InChI Trust InChI Licence 1.0, and BSD-style
ChemAxon Name <> Structure – IUPAC (& traditional) name to structure and structure to IUPAC name software. As used at chemicalize.org; ACD/Name – Generates IUPAC, INDEX (CAS), InChi, Smiles, etc. for drawn structures in 10 languages and translates names to structures. Also available as batch tool and for Pipeline Pilot.
PubChem ChEMBL SMILES InChI LSM "LINCS". 43,700 LipidBank Japanese Conference on the Biochemistry of Lipids lipids "LipidBank". 7,009 LMSD LIPID MAPS Structure Database Lipids HMDB ChEBI PubChem InChI LMFA "LMSD". 44701 LOLI: List of Lists safety data sheets, regulation "LOLI". Mcule supplied chemicals InChI, SMILES, SDF, physichochemical ...
To avoid long and tedious names in normal communication, the official IUPAC naming recommendations are not always followed in practice, except when it is necessary to give an unambiguous and absolute definition to a compound. IUPAC names can sometimes be simpler than older names, as with ethanol, instead of ethyl alcohol. For relatively simple ...
The main structure of chemical names according to IUPAC nomenclature. The International Union of Pure and Applied Chemistry (IUPAC) has published four sets of rules to standardize chemical nomenclature. There are two main areas: IUPAC nomenclature of inorganic chemistry (Red Book) IUPAC nomenclature of organic chemistry (Blue Book)
Basic IUPAC inorganic nomenclature has two main parts: the cation and the anion. The cation is the name for the positively charged ion and the anion is the name for the negatively charged ion. [13] An example of IUPAC nomenclature of inorganic chemistry is potassium chlorate (KClO 3): Potassium chlorate "Potassium" is the cation name.
Names of oxyanions should in general follow the names in Table X of the IUPAC 2005 Red Book. [2] Exceptions can be made if an alternate name is much more common in the literature, e.g. xenate rather than xenonate (don't generalise this to radon though, as it would create an ambiguity between radon and radium).
The names "caffeine" and "3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione" both signify the same chemical compound. The systematic name encodes the structure and composition of the caffeine molecule in some detail, and provides an unambiguous reference to this compound, whereas the name "caffeine" simply names it.