Structure Information
Structure

Compound Identification

SMILES

[Ca++].COC1=C(F)C=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S([NH-])(=O)=O)C(F)F.COC1=C(F)C=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S([NH-])(=O)=O)C(F)F

InChIKey

InChIKey=XEYAZBFARMEGJR-UHFFFAOYSA-N

Formula

C34H26CaF6N6O6S2

Mass

832.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Benzenesulfonamides Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Sulfonyls Organosulfonic acids and derivatives Organic metal halides Organic calcium salts Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds

Molecular Framework

Not available

Substituents

Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic calcium salt - Organic metal halide - Ether - Azacycle - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic salt - Organic zwitterion - Alkyl fluoride - Alkyl halide - 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

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