Compound Identification
SMILES
OCCN(CCO)C1=NC(NC2=CC=C(NC3=NC(NC4=C5C(=CC(=C4)S(O)(=O)=O)C=C(C(N=NC4=CC(=CC(=C4)C(O)=O)C(O)=O)=C5O)S(O)(O)O)=NC(=N3)N(CCO)CCO)C=C2)=NC(NC2=C3C(=CC(=C2)S(O)(=O)=O)C=C(C(N=NC2=CC(=CC(=C2)C(O)=O)C(O)=O)=C3O)S(O)(O)O)=N1
InChIKey
InChIKey=VTWAOLPQMDRGQP-UHFFFAOYSA-N
Formula
C56H54N16O26S4
Mass
1495.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
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Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
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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
2-naphthalene sulfonic acids and derivatives M-phthalic acid and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzoic acids Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines 1-hydroxy-4-unsubstituted benzenoids N-aliphatic s-triazines 1,3,5-triazines Heteroaromatic compounds Sulfonyls Organosulfonic acids Azo compounds Polyols Carboxylic acids Azacyclic compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Meta_phthalic_acid - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Aminotriazine - 1-hydroxy-4-unsubstituted benzenoid - Amino-1,3,5-triazine - Phenol - N-aliphatic s-triazine - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Azo compound - Polyol - Alkanolamine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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