Compound Identification
SMILES
CCOC(=O)C1=C(NC(=S)NC2=C(C=CC(=C2)C(=O)OCC)C(=O)OCC)SC(C)=C1C1=CC=CC=C1
InChIKey
InChIKey=NPHYRKZAOVDILZ-UHFFFAOYSA-N
Formula
C27H28N2O6S2
Mass
540.65
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
-
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 N-phenylthioureas Benzoic acid esters Thiophene carboxylic acids and derivatives Benzoyl derivatives Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - N-phenylthiourea - Benzoyl - Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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