Compound Identification
SMILES
NC1=C2C(=O)\C(=N\NC3=C(C4=CC=CC=C4C=C3)S(O)(=O)=O)C(=CC2=CC(=C1N=NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=SBFXRCKZFOQMGQ-CSTWBTRJSA-N
Formula
C28H23N5O16S5
Mass
845.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenylhydrazines Aryl ketones Sulfuric acid monoesters Alkyl sulfates Vinylogous amides Sulfones Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenylhydrazine - Aryl ketone - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Organosulfonic acid - Sulfonyl - Vinylogous amide - Organic sulfuric acid or derivatives - Azo compound - Ketone - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Primary amine - Aromatic homopolycyclic 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