Compound Identification
SMILES
CC1(C)\C(=C/C=C(/C=C/C2=[N+](CCCS(O)(=O)=O)C3=C(C4=CC(=CC(=C4C=C3)S(O)(=O)=O)S(O)(=O)=O)C2(C)C)\C2=NC=C(C=C2)C(O)=O)N(CCCS(O)(=O)=O)C2=C1C1=CC(=CC(=C1C=C2)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=NAFVCOLFBVYMQN-UHFFFAOYSA-O
Formula
C45H46N3O20S6
Mass
1141.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-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
2-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives 3-alkylindoles Pyridinecarboxylic acids 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Amino acids Enamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 3-alkylindole - Indole or derivatives - Arylsulfonic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Pyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Alkanesulfonic acid - Amino acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available