Compound Identification
SMILES
CCN1C2=C(C3=CC(=CC(=C3C=C2)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)\C1=C\C=C\C=C\C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)C2=C(C3=CC(=CC(=C3C=C2)S(O)(=O)=O)S(O)(=O)=O)C1(C)C
InChIKey
InChIKey=DOMDXTIMIZCSNC-UHFFFAOYSA-O
Formula
C45H48N3O16S4
Mass
1015.12
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
-
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
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Pyrrolidine-2-ones Sulfonyls Organosulfonic acids Dicarboximides Lactams Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic 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 - Tertiary amine - Lactam - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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