Compound Identification
SMILES
NC(=O)NC1=C(C=CC(NC2=NC(NC3=CC(=CC=C3)S(=O)(=O)CCOS(O)(=O)=O)=NC(Cl)=N2)=C1)N=NC1=C(C=C2C=C(C=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=BLYVOCSVMBEJLS-UHFFFAOYSA-N
Formula
C28H24ClN9O16S5
Mass
938.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
-
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
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Chloro-s-triazines Aryl chlorides Alkyl sulfates Sulfuric acid monoesters Heteroaromatic compounds Organosulfonic acids Sulfones Ureas Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
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 - Benzenesulfonyl group - Aniline or substituted anilines - 2,4-diamine-s-triazine - Aminotriazine - Halo-s-triazine - Chloro-s-triazine - Amino-1,3,5-triazine - Triazine - Monocyclic benzene moiety - 1,3,5-triazine - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Aryl halide - Alkyl sulfate - Aryl chloride - Heteroaromatic compound - Organic sulfuric acid or derivatives - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azo compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - 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