Compound Identification
SMILES
[H+].[Cr].CCCCC(CC)CN.CC1=NN(C(=O)[C-]1N=NC1=C(O)C(=CC(C)=C1)[N+]([O-])=O)C1=CC(=CC=C1)S(N)(=O)=O.CC1=NN(C(=O)[C-]1N=NC1=C(O)C(=CC(C)=C1)[N+]([O-])=O)C1=CC(=CC=C1)S(N)(=O)=O
InChIKey
InChIKey=CJSYHSZMHUFVTK-UHFFFAOYSA-O
Formula
C42H50CrN13O12S2
Mass
1045.06
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
Benzenesulfonamides Nitrophenols Benzenesulfonyl compounds Nitrobenzenes Nitrotoluenes Para cresols Nitroaromatic compounds Pyrazolones Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Lactams Azo compounds Organic oxoazanium compounds Azacyclic compounds Organic transition metal salts Monoalkylamines Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Phenylpyrazole - Benzenesulfonamide - Nitrophenol - Nitrobenzene - Benzenesulfonyl group - Nitrotoluene - Nitroaromatic compound - P-cresol - Phenol - Toluene - Monocyclic benzene moiety - Pyrazolinone - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Azo compound - Lactam - C-nitro compound - Organic nitro compound - Organic transition metal salt - Organic oxoazanium - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Primary aliphatic amine - Organic oxygen compound - Organic salt - Organosulfur compound - Amine - Organic nitrogen compound - 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