Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S([O-])(=O)=O.COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CCOC2=CC=C(C=C2)N=C=S)C=C1

InChIKey

InChIKey=AVQZDVMXRPILBE-UHFFFAOYSA-M

Formula

C31H27N3O6S2

Mass

601.69

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenyl-1,3-oxazoles

Alternative Parents

Molecular Framework

Not available

Substituents

P-methylbenzenesulfonate - Phenyl-1,3-oxazole - Benzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Toluene - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Pyridinium - Monocyclic benzene moiety - Benzenoid - Pyridine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Isothiocyanate - Oxacycle - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.

External Descriptors

Not available

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