Compound Identification
SMILES
COC1=CC(CC2=CC(N)=NC3=C2C=CC(CN2CCC(NC(=O)C(F)(F)F)C2=O)=C3)=C2C=CC(=CC2=C1)S(O)(=O)=O
InChIKey
InChIKey=TUAZFMBTUDPXSR-UHFFFAOYSA-N
Formula
C28H25F3N4O6S
Mass
602.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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 N-acyl-alpha amino acids and derivatives Aminoquinolines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Anisoles Alkyl aryl ethers Aminopyridines and derivatives Pyrrolidine-2-ones Imidolactams N-alkylpyrrolidines Sulfonyls Heteroaromatic compounds Organosulfonic acids Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - N-acyl-alpha amino acid or derivatives - Aminoquinoline - Alpha-amino acid or derivatives - Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Aminopyridine - Imidolactam - Pyridine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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