Compound Identification
SMILES
CCOC(=O)COC1=C2CC3=CC(=CC(CC4=C(OCC(=O)OCC)C(CC5=C(OS(=O)(=O)C6=CC=CC7=C6C=CC=C7N(C)C)C(CC1=CC(=C2)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=C3OS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C(C)(C)C
InChIKey
InChIKey=GJXHLOXSRGWTAN-UHFFFAOYSA-N
Formula
C76H90N2O12S2
Mass
1287.68
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 Phenoxyacetic acid derivatives Arylsulfonic acids and derivatives Phenol ethers Dialkylarylamines Alkyl aryl ethers Organosulfonic acid esters Dicarboxylic acids and derivatives Sulfonyls Carboxylic acid esters Amino acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Phenoxyacetate - Arylsulfonic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Alkyl aryl ether - Organosulfonic acid ester - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Ether - Amine - Organosulfur compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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