Compound Identification
SMILES
[K].CC1(C)\C(=C/C=C/C=C\C2=[N+](CC(=O)NS(C)(=O)=O)C3=C(C4=C(C=C3)C=C(C=C4)S(O)(=O)=O)C2(C)C)N(CCCCCC(=O)ON2C(=O)CCC2=O)C2=C1C1=C(C=C2)C=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=KNFRVATWZIYTNV-UHFFFAOYSA-O
Formula
C46H49KN4O13S3
Mass
1001.19
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 3-alkylindoles Alpha amino acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Pyrrolidine-2-ones Organosulfonic acids Dicarboximides Aminosulfonyl compounds Lactams Organic alkali metal salts Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Alpha-amino acid or derivatives - 3-alkylindole - Arylsulfonic acid or derivatives - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Tertiary amine - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Enamine - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic cation - 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