Compound Identification
SMILES
OC1=CC(=CC2=CC(=CC(NC3=NC(Cl)=NC(NC4=CC(=CC=C4)S(O)=O)=N3)=C12)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=OJFCZUABHWGCDZ-UHFFFAOYSA-N
Formula
C19H14ClN5O9S3
Mass
587.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Sulfonyls Organosulfonic acids Sulfinic acids Azacyclic compounds Organooxygen compounds Amines Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Phenol - Chloro-s-triazine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halo-s-triazine - Aminotriazine - Triazine - Monocyclic benzene moiety - 1,3,5-triazine - Aryl halide - Aryl chloride - Organic sulfonic acid or derivatives - Sulfinic acid - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Sulfinic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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