Compound Identification
SMILES
OP(O)(=O)C1=C(N\N=C2\C(=O)C3=C(C=C(\C(=N/NC4=CC=C(C=C4)[N+]([O-])=O)C3=O)S(O)(=O)=O)C=C2S(O)(=O)=O)C=CC(Cl)=C1
InChIKey
InChIKey=NQUTVWPQIDNKMZ-VCNVVWDHSA-N
Formula
C22H15ClN5O13PS2
Mass
687.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
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 1-sulfo,2-unsubstituted aromatic compounds Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Organic phosphonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Organophosphorus compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Organophosphonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organophosphonic acid derivative - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Organic oxygen compound - Organic salt - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic cation - Aromatic homopolycyclic 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