NAME

Codename: name

ocr
converts names containig OCR (optical character recognition) error.
Example:
molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene{name:ocr}
converts the defective name "3-rnethyl-l-methoxynaphthalene" to smiles.
systematic convert only systematic names

-systematic disable conversion of systematic names

-elements disable conversion of the name of chemical elements, for instance carbon, sodium, .... Even though "carbon" is not converted, "methane" still is, since it is a molecule name, not an element.

-ions disable conversion of ion syntax, for instance "Ca2+".

-groups disable conversion of groups and fragments, such as "oxo" or "methyl".

dict=PATH specify the location of the custom dictionary. Example: name:dict=C:\Users\Me\MyDictionary.smi.
Some of these options are mainly useful when configuring which names Document to Structure recognizes.

Export options

t
converts to traditional name. This option generates a common name if one is known for the structure. Otherwise, it generates a systematic name, but sometimes uses some traditionally accepted rules instead of the strict application of the IUPAC rules, when that generates a simpler name.

common
generates the most popular common name of a structure. (It fails if none is known.)

common,all
generates all common names of a structure.

source
outputs the name present in the source data (no generation).

cas#
Fetches the CAS Registry Number(s) of the structure, using a public internet webservice. In case the structure corresponds to several CAS Registry Numbers, they are all returned, separated by commas.

ascii Use only ASCII characters to encode the name.

timeout=<N>
Use at most N seconds for the name to be computed. The default timeout is currently 20 seconds (which should normally be reached exceptionally, for very large structures). A value of 0 means no timeout.

NAME

Contents:

NAME format

Import option

Export options

See also

ocr	converts names containig OCR (optical character recognition) error. Example: molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene{name:ocr} converts the defective name "3-rnethyl-l-methoxynaphthalene" to smiles.
systematic	convert only systematic names
-systematic	disable conversion of systematic names
-elements	disable conversion of the name of chemical elements, for instance carbon, sodium, .... Even though "carbon" is not converted, "methane" still is, since it is a molecule name, not an element.
-ions	disable conversion of ion syntax, for instance "Ca2+".
-groups	disable conversion of groups and fragments, such as "oxo" or "methyl".
dict=PATH	specify the location of the custom dictionary. Example: `name:dict=C:\Users\Me\MyDictionary.smi`.

t	converts to traditional name. This option generates a common name if one is known for the structure. Otherwise, it generates a systematic name, but sometimes uses some traditionally accepted rules instead of the strict application of the IUPAC rules, when that generates a simpler name.
common	generates the most popular common name of a structure. (It fails if none is known.)
common,all	generates all common names of a structure.
source	outputs the name present in the source data (no generation).
cas#	Fetches the CAS Registry Number(s) of the structure, using a public internet webservice. In case the structure corresponds to several CAS Registry Numbers, they are all returned, separated by commas.
ascii	Use only ASCII characters to encode the name.
timeout=<N>	Use at most N seconds for the name to be computed. The default timeout is currently 20 seconds (which should normally be reached exceptionally, for very large structures). A value of 0 means no timeout.