Compound Identification
SMILES
CC1=NN(C(=N)\C1=N/NC1=NC2=C(S1)C=CC(=C2)S(O)(=O)=O)C1=CC2=C(C=C1)C(=CC=C2)S(O)(=O)=O
InChIKey
InChIKey=CAHPLPKHVAIHMK-JMIWTYPQSA-N
Formula
C21H16N6O6S3
Mass
544.58
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 1-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
-
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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives Benzothiazoles 1-sulfo,2-unsubstituted aromatic compounds Imidolactams Thiazoles Sulfonyls Pyrazolines Organosulfonic acids Heteroaromatic compounds Hydrazones Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1,3-benzothiazole - 1-sulfo,2-unsubstituted aromatic compound - Imidolactam - Azole - Pyrazoline - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Organosulfonic acid - Amidine - Hydrazone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available