Compound Identification
SMILES
NC(CCON=C(N)N)C(O)=O.OC1=C(C=C(C2=C1C=C(C=C2)S(O)(=O)=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=BFSAFKDTLAQZPC-UHFFFAOYSA-N
Formula
C15H18N6O11S
Mass
490.4
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 Nitronaphthalenes Naphthols and derivatives Alpha amino acids 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Fatty acids and conjugates Sulfonyls Organosulfonic acids Guanidines Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 2-nitronaphthalene - 1-nitronaphthalene - 1-naphthol - Alpha-amino acid or derivatives - Alpha-amino acid - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Nitroaromatic compound - Fatty acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Guanidine - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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