Compound Identification
SMILES
CCOC(=O)C1=CC(=CC(=C1)C(=O)NC1=C(SC2=CC=CC=C2[N+]([O-])=O)C(=O)N(N1)C1=CC=CC=C1)C(=O)OCC
InChIKey
InChIKey=KRIXTGIXYOMCDN-UHFFFAOYSA-N
Formula
C28H24N4O8S
Mass
576.58
Taxonomic Classification
Taxonomy Tree
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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
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Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 m-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
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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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Diarylthioethers Phenylpyrazoles Benzoic acid esters Benzamides Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Phenylpyrazole - Diarylthioether - Benzoate ester - Nitrobenzene - Benzamide - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Benzoyl - Pyrazolinone - Vinylogous amide - Pyrazole - Azole - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available