Compound Identification
SMILES
CC1=C(C=CC(NC2=NC(NC3=CC(C)=C(C=C3)N=NC3=CC(=C4C=CC=C(C4=C3)S(O)(=O)=O)S(O)(=O)=O)=NC(NCCO)=N2)=C1)N=NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=UHLVINFHJXUXCW-UHFFFAOYSA-N
Formula
C39H34N10O13S4
Mass
979.0
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 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Toluenes N-aliphatic s-triazines 1,3,5-triazines Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Alkanolamines Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Toluene - N-aliphatic s-triazine - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic 1,3-dipolar compound - Azacycle - Alkanolamine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - 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