Compound Identification
SMILES
CCOC(=O)CCCCCN1C2=C(C3=CC=CC=C3C=C2)C(C)(C)\C1=C\C=C\C1=[N+](CCCCCC(=O)OCC)C2=C(C3=C(C=C2)C(=CC=C3)S(O)(=O)=O)C1(C)C
InChIKey
InChIKey=FEGQRQQCTKCNKQ-UHFFFAOYSA-O
Formula
C47H57N2O7S
Mass
794.04
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 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Fatty acid esters Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Amino acids and derivatives Carboxylic acid esters Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 3-alkylindole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Indole or derivatives - Tertiary aliphatic/aromatic amine - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Carboxylic acid ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Enamine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic 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