Compound Identification
SMILES
[Na+].[Na+].[Fe++].OC1=C(C=C(N=NC2=C(C=C(C=C2[O-])[N+]([O-])=O)[N+]([O-])=O)C([O-])=C1)N=NC1=C2C(O)=C(N=NC3=CC=C(C=C3)[N+]([O-])=O)C(=CC2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=JCPMIWYYYJLWLW-UHFFFAOYSA-J
Formula
C28H13FeN9Na2O16S2
Mass
897.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Azobenzenes Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Nitrobenzenes Nitroaromatic compounds Phenoxides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Azo compound - Organic alkali metal salt - Organic transition metal salt - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic sodium salt - Organic salt - Organic oxide - Hydrocarbon derivative - 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