Compound Identification
SMILES
[Ca++].CC(=O)NCCS([O-])(=O)=O
InChIKey
InChIKey=NRQDDSZUJJYBIQ-UHFFFAOYSA-M
Formula
C4H8CaNO4S
Mass
206.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Organic sulfonic acids and derivatives
-
Subclass
Organosulfonic acids and derivatives
- Level 5 Organosulfonic acids
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Subclass
Organosulfonic acids and derivatives
-
Class
Organic sulfonic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Organosulfonic acids
Alternative Parents
Sulfonyls Alkanesulfonic acids Acetamides Secondary carboxylic acid amides Organic calcium salts Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic calcium salt - Hydrocarbon derivative - Organic salt - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
External Descriptors
Not available