Compound Identification
SMILES
CC1=CC(N=NC2=C3C=C(C=CC3=C(NC3=NC(Cl)=NC(N)=N3)C=C2)S(O)(=O)=O)=C(C)C=C1N=NC1=C(C=CC2=C(C=C(C=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=DPKBPTNQYASJMZ-UHFFFAOYSA-N
Formula
C31H24ClN9O12S4
Mass
878.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 1-sulfo,2-unsubstituted aromatic compounds p-Xylenes 1,3,5-triazine-2,4-diamines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organochlorides Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - P-xylene - Xylene - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Aryl chloride - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organic nitrogen 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