Compound Identification
SMILES
COC(=O)C1=C(C)C(C2=CC=C(S2)C2=CC3=C(S2)C=CC(C)=C3)=C(C(=O)OC)C(C)=C1C1=CC=C(S1)C1=CC2=C(S1)C=CC(C)=C2
InChIKey
InChIKey=CJVUZIRCPORHTR-UHFFFAOYSA-N
Formula
C38H30O4S4
Mass
678.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
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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 Bi- and oligothiophenes Benzoic acid esters 1-benzothiophenes p-Xylenes Benzoyl derivatives 2,3,5-trisubstituted thiophenes 2,5-disubstituted thiophenes Methyl esters Heteroaromatic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Bithiophene - Benzothiophene - 1-benzothiophene - P-xylene - Xylene - Benzoyl - 2,3,5-trisubstituted thiophene - 2,5-disubstituted thiophene - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic 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