Compound Identification
SMILES
OS(=O)(=O)C1=CC2=C(C=C1)C=CC1=C2OC2=C(C=CC3=C2C=C(C=C3)S(O)(=O)=O)S1(=O)=O
InChIKey
InChIKey=VYWYGQYQLSLYMT-UHFFFAOYSA-N
Formula
C20H12O9S3
Mass
492.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxathiins
- Subclass Phenoxathiins
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Class
Benzoxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxathiins
Subclass
Phenoxathiins
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxathiins
Alternative Parents
2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates Diarylethers 1-sulfo,2-unsubstituted aromatic compounds Oxathiins Sulfones Organosulfonic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonate - Phenoxathiin - Diaryl ether - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1,4-oxathiin - Benzenoid - Sulfonyl - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Oxacycle - Ether - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.
External Descriptors
Not available