Spezifikation der molekularen Chiralität

Cahn, R. S.; Ingold, C. K.; Prelog, V.

doi:10.1002/ange.19660780803

Cited by 721 publications

(160 citation statements)

References 39 publications

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“…(a) the substituent that includes a skeletal atom (b) the group preferred by the sequence rules (see appendix to Section E [14], and ref 15) If α or β are not applicable, then R or S should be used (see rule R-7.2.1 [13], rule E-4.9 [14]). With bridged bicyclic systems the largest ring is considered to be the plane, and the stereochemistry of the shortest bridge is indicated by α or β.…”

Section: Examplementioning

confidence: 99%

Nomenclature of Lignans and Neolignans (IUPAC Recommendations 2000)

Moss

2000

Pure and Applied Chemistry

263

186

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Lignans and neolignans are a large group of natural products characterized by the coupling of two C6C3 units. For nomenclature purposes the C6C3 unit is treated as propylbenzene and numbered from 1 to 6 in the ring, starting from the propyl group, and with the propyl group numbered from 7 to 9, starting from the benzene ring. With the second C6C3 unit the numbers are primed. When the two C6C3 units are linked by a bond between positions 8 and 8' the compound is referred to and named as a lignan. In the absence of the C-8 to C-8' bond, and where the two C6C3 units are linked by a carbon–carbon bond it is referred to and named as a neolignan. The linkage with neolignans may include C-8 or C-8'. Where there are no direct carbon–carbon bonds between the C6C3 units and they are linked by an ether oxygen atom the compound is named as an oxyneolignan. The nomenclature provides for the naming of additional rings and other modifications following standard organic nomenclature procedures for naming natural products. Provision is included to name the higher homologues. The sesquineolignans have three C6C3 units, and dineolignans have four C6C3 units.

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Section: Examplementioning

confidence: 99%

Nomenclature of Lignans and Neolignans (IUPAC Recommendations 2000)

Moss

2000

Pure and Applied Chemistry

263

186

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“…[12][13][14] In many compounds similar to biphenyls intramolecular rotation which would transform a left-into a right-handed conformer is hindered due to sterically bulky substituents. Such conformers which may be stable at room temperature are referred to as atropisomers.…”

Section: Resultsmentioning

confidence: 99%

An axial chirality and disorder of positional isomers in a crystal of highly cytotoxic 3-acetyl-1,3-bis(2-chloro-4-nitrophenyl)-1E-triazene

Molčanov

Polanc

Osmak

et al. 2015

ACSi

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Dedicated to the memory of Prof. Dr. Jurij V. Bren~i~. AbstractBiologically active 4-nitro-substituted 1,3-diaryltriazene, a chemical analogue of 1,3-bis(4'-amidinophenyl)-triazeneberenil ® , belongs to the novel, chemically modified class of potent antitumor agents. Its structural characterization by X-ray analysis and 1 H NMR spectroscopy is performed to determine molecular overall conformation in view of its possible interaction to DNA.

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“…This restriction can be easily circumvented -redrawing the molecule with either a cis (Z) or trans (E) double bond and deleting the stereodescriptor from the name -and the 'no name' rate may then be lowered to 5%. In both packages the fundamental rules of Cahn, Ingold, and Prelog ('CIP-rules') [39] that determine the stereochemistry of a stereocenter are implemented and reliably handled. It can be summarized that both packages readily outperform the average scientist and both meet the requirements to be useful and reliable helpers for day-to-day name creation of simple and even of more advanced organics.…”

Section: Resultsmentioning

confidence: 99%

Improving the Quality of Published Chemical Names with Nomenclature Software

Eller

2006

Molecules

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This work deals with the use of organic systematic nomenclature in scientific literature, its quality, and computerized methods for its improvement. Criteria for classification of systematic names in terms of quality/correctness are discussed and applied to a sample set of several hundred names extracted from the literature. The same structures are named with three popular state-of-the-art nomenclature programs -AutoNom 2000, ChemDraw 10.0, and ACD/Name 9.0. When comparing the results, all nomenclature tools show a significantly better performance than 'average chemists'. One program allows the generation not only of IUPAC names but also of CAS-like index names that are compared with the officially registered names. The scope and limitations of nomenclature software are discussed and a comparison of the programs' actual capabilities is given.

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Spezifikation der molekularen Chiralität

Cited by 721 publications

References 39 publications

Nomenclature of Lignans and Neolignans (IUPAC Recommendations 2000)

Nomenclature of Lignans and Neolignans (IUPAC Recommendations 2000)

An axial chirality and disorder of positional isomers in a crystal of highly cytotoxic 3-acetyl-1,3-bis(2-chloro-4-nitrophenyl)-1E-triazene

Improving the Quality of Published Chemical Names with Nomenclature Software

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