Compound Identification
SMILES
CCOC(=O)C1=CC(SC(=O)N(C)C)=C(C=C1SC(=O)N(C)C)C(=O)OCC
InChIKey
InChIKey=XYTFSAKDCYCQRJ-UHFFFAOYSA-N
Formula
C18H24N2O6S2
Mass
428.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 p-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Benzoic acid esters M-sulfanylbenzoic acids and derivatives O-sulfanylbenzoic acids and derivatives Aryl thioethers Benzoyl derivatives Dicarboxylic acids and derivatives Thiocarbamic acid derivatives Carboxylic acid esters Organic carbonic acids and derivatives Sulfenyl compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - M-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carbonic acid derivative - Thiocarbamic acid derivative - Carboxylic acid derivative - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available