Compound Identification
SMILES
CCOCCOC(=O)CCC(C)(C1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])C=C1)C1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC([N+]#N)=C3[O-])C=C1
InChIKey
InChIKey=AZNVEXKTXPOVCB-UHFFFAOYSA-N
Formula
C41H34N4O11S2
Mass
822.86
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
-
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 Diphenylmethanes Arylsulfonic acids and derivatives Phenoxy compounds Phenoxides Fatty acid esters Organosulfonic acid esters Sulfonyls Organic diazonium salts Carboxylic acid esters Dialkyl ethers Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Diphenylmethane - Arylsulfonic acid or derivatives - Phenoxy compound - Fatty acid ester - Phenoxide - Fatty acyl - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carboxylic acid ester - Organic diazonium salt - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic cation - 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