Compound Identification
SMILES
[Ca++].CCCCCCCCCCCCCCCCCCC\C=C\COC(=O)C1=C(C=C(C=C1)S([O-])(=O)=O)C(=O)OC\C=C\CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC\C=C\COC(=O)C1=C(C=C(C=C1)S([O-])(=O)=O)C(=O)OC\C=C\CCCCCCCCCCCCCCCCCCC
InChIKey
InChIKey=YSYUKRNLIHOTTC-QADVIUPXSA-L
Formula
C104H178CaO14S2
Mass
1756.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Carboxylic acid esters Organic calcium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Benzoate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Organic calcium salt - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available