Compound Identification
SMILES
OCCNCCO.COC1=C(NC(=O)NC2=C(OC)C=C(N=NC3=CC(=C4C=CC=C(C4=C3)S(O)(=O)=O)S(O)(=O)=O)C(C)=C2)C=C(C)C(=C1)N=NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=NYZIHEMGFHRHMT-UHFFFAOYSA-N
Formula
C41H43N7O17S4
Mass
1034.07
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 N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Sulfonyls Organosulfonic acids 1,2-aminoalcohols Ureas Azo compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxides Primary alcohols Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - N-phenylurea - Arylsulfonic acid or derivatives - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Azo compound - 1,2-aminoalcohol - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Alkanolamine - Secondary aliphatic amine - Ether - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Alcohol - 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