Compound Identification
SMILES
OC(=O)CSC1=C(F)C(=C(C(O)=O)C(F)=C1F)C1=C2C=C(F)C(=O)C=C2OC2=CC(O)=C(F)C=C12
InChIKey
InChIKey=AWZJFZMWSUBJAJ-UHFFFAOYSA-N
Formula
C22H9F5O7S
Mass
512.36
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
P-sulfanylbenzoic acids 2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Thiophenol ethers O-fluorophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Fluorobenzenes Aryl fluorides Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous halides Cyclic ketones Oxacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - P-sulfanylbenzoic acid - P-sulfanylbenzoic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - 1-carboxy-2-haloaromatic compound - Thiophenol ether - 2-fluorophenol - Benzoyl - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous halide - Cyclic ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
External Descriptors
CHEBI:52307 : xanthene dye