Compound Identification
SMILES
CC(C)OC1=NC(Cl)=NC(NC2=CC(NC(N)=O)=C(C=C2)N=NC2=C(C=C3C=C(C=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=N1
InChIKey
InChIKey=PXSBRQKKQGTZGM-UHFFFAOYSA-N
Formula
C23H21ClN8O11S3
Mass
717.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
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Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Alkoxy-S-triazines Aniline and substituted anilines Alkyl aryl ethers Aminotriazines Chloro-s-triazines Aryl chlorides Organosulfonic acids Sulfonyls Heteroaromatic compounds Azo compounds Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - N-phenylurea - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Alkoxy-s-triazine - Aniline or substituted anilines - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Triazine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azo compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Amine - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available