Compound Identification
SMILES
CC1=C(C2=CC=CC=C2C=C1)C(C)(CCCS(O)(=O)=O)C(=C)\C=C\C=C\C=C1\N(CCCCCC(O)=O)C2=C(C3=CC(=CC(=C3C=C2)S(O)(=O)=O)S(O)(=O)=O)C1(C)C
InChIKey
InChIKey=YXHKZWUQJDSHNM-RFPOHSCDSA-N
Formula
C43H49NO11S3
Mass
852.04
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 Indolyl carboxylic acids and derivatives Indoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Medium-chain fatty acids Heterocyclic fatty acids Amino fatty acids Branched fatty acids Sulfonyls Organosulfonic acids Alkanesulfonic acids Amino acids Carboxylic acids Enamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - Indolyl carboxylic acid derivative - Arylsulfonic acid or derivatives - Indole - Indole or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Enamine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organonitrogen compound - 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