Compound Identification
SMILES
CC1=C(NC2=NC(Cl)=NC(NC3=CC(=CC=C3)S(O)(=O)=O)=N2)C=C(C=C1N1N=C(C(N=NC2=C(C=C(NC3=NC(Cl)=NC(NC4=CC(=CC=C4)S(O)(=O)=O)=N3)C=C2)S(O)(=O)=O)C1=O)C(O)=O)S(O)(=O)=O
InChIKey
InChIKey=GPFNXKLQSAWGLB-UHFFFAOYSA-N
Formula
C35H26Cl2N14O15S4
Mass
1081.82
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
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
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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
Alpha amino acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Diaminotoluenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Chloro-s-triazines Pyrazolones Aryl chlorides Heteroaromatic compounds Organosulfonic acids Sulfonyls Azo compounds Amino acids Carboxylic acids Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Diaminotoluene - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Toluene - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Pyrazolinone - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Amino acid - Azo compound - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organohalogen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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