Compound Identification
SMILES
[H+].[H+].[H+].[Cr+3].C1CCC(CC1)NC1CCCCC1.C1CCC(CC1)NC1CCCCC1.CC1=NN(C([O-])=C1N=NC1=CC=CC=C1C([O-])=O)C1=CC=C(C=C1)S([O-])(=O)=O.CC1=NN(C([O-])=C1N=NC1=CC=CC=C1C([O-])=O)C1=CC=C(C=C1)S([O-])(=O)=O
InChIKey
InChIKey=KTIHJESJWSAUQK-UHFFFAOYSA-K
Formula
C58H71CrN10O12S2
Mass
1216.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Cyclohexylamines Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Carboxylic acids Organic chromium salts Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Phenylpyrazole - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Carboxylic acid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic chromium salt - Organic oxygen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available