Compound Identification
SMILES
[Na+].CCC1=C2Oc3c(ccc(NCCNc4nc(Cl)nc(Nc5ccc(cc5S(O)(=O)=O)S(O)(=O)=O)n4)c3S(O)(=O)=O)N=C2C(Cl)=C2Oc3c(ccc(NCCNc4nc(Cl)nc(Nc5ccc(cc5S(O)(=O)=O)S(O)(=O)=O)n4)c3S([O-])(=O)=O)N=C12
InChIKey
InChIKey=KKJSAIDKPWEHHY-UHFFFAOYSA-M
Formula
C42H34Cl3N14NaO20S6
Mass
1376.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzoxazines
- Subclass Phenoxazines
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Class
Benzoxazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Phenoxazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxazines
Alternative Parents
Diarylethers Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines 1,3,5-triazine-2,4-diamines Secondary alkylarylamines N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Oxacyclic compounds Organic metal halides Azacyclic compounds Organopnictogen compounds Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxazine - Diaryl ether - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - N-aliphatic s-triazine - Secondary aliphatic/aromatic amine - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.
External Descriptors
Not available