Compound Identification
SMILES
CC1=CC(N\N=C2\C(=O)C3=C(C=C2SOOO)C(=C(N)C=C3)S(O)(=O)=O)=C(C=C1C)S(O)(=O)=O
InChIKey
InChIKey=VKWROZDCBAHWME-LTGZKZEYSA-N
Formula
C18H17N3O10S3
Mass
531.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Naphthalenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds o-Xylenes Phenylhydrazines Aryl ketones Sulfonyls Organosulfonic acids Sulfenyl compounds Hydrazones Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
P-methylbenzenesulfonate - Naphthalene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - O-xylene - Xylene - Aryl ketone - Phenylhydrazine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Hydrazone - Sulfenyl compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available