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ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
Full name Operator Selects Contains ID prefix Quality Link Entries ACToR Environmental Protection Agency: toxicology information; occurrence "ACToR". 893,280 AtomWork Inorganic Material Database National Institute for Materials Science: crystal structures "AtomWork". 82,000 Beilstein Beilstein database: Elsevier: organic compounds properties ...
Download QR code; Print/export ... Other names Dipropyl ketone, Butyrone, DPK, Propyl ketone ... 4-Heptanone or heptan-4-one is an organic compound with the formula ...
These fragments were then used as building blocks in the structure generator. This structure generator was part of a CASE system, ESESOC. [23] Breadth-first search generation. Molecular structure generation is explained step by step. Starting from a set of atoms, bonds are added between atom pairs until reaching saturated structures.
Heptanone may refer to the following ketones with seven carbon atoms the formula C 7 H 14 O: . 2-Heptanone (Methyl amyl ketone) . 5-Methyl-2-hexanone (Methyl isoamyl ketone); 4-Methyl-2-hexanone (Methyl 2-methylbutyl ketone)
For example, the three isomers of xylene CH 3 C 6 H 4 CH 3, commonly the ortho-, meta-, and para-forms, are 1,2-dimethylbenzene, 1,3-dimethylbenzene, and 1,4-dimethylbenzene. The cyclic structures can also be treated as functional groups themselves, in which case they take the prefix "cycloalkyl-" (e.g. "cyclohexyl-") or for benzene, "phenyl-".
4-Isopropylphenol is an organic compound with the formula (CH 3) 2 CHC 6 H 4 OH. The molecule consists of an isopropyl group affixed to the para ( p -) position of phenol . The compound, a white solid, is produced by the alkylation of phenol with propylene and is relevant to the production of the commodity chemical bisphenol A (BPA).
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)