Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].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=LPEINYYLAYPWSP-UHFFFAOYSA-J
Formula
C35H22Cl2N14Na4O15S4
Mass
1169.74
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
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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 Sulfonyls Organosulfonic acids Heteroaromatic compounds Amino acids Azo compounds Carboxylic acid salts Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-methylbenzenesulfonate - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Diaminotoluene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 2,4-diamine-s-triazine - Aniline or substituted anilines - Toluene - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Triazine - Pyrazolinone - 1,3,5-triazine - Aryl halide - Aryl chloride - Sulfonyl - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Azo compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Organic metal halide - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Amine - Organic oxygen compound - Organic sodium salt - Organic cation - 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