Compound Identification
SMILES
COC1=CC=CC=C1N\N=C1\C(=O)C2=C(C=C(NC(=O)NC3=CC4=C(C=C3)C(=O)\C(=N\NC3=CC5=C(C=C3)C=C(C=C5)S(O)(=O)=O)C(=C4)S(O)(=O)=O)C=C2)C=C1S(O)(=O)=O
InChIKey
InChIKey=JBZBJNOBQONEQE-PLJIOEQVSA-N
Formula
C38H28N6O13S3
Mass
872.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
-
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
-
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 Methoxyanilines 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines Phenoxy compounds Methoxybenzenes Aryl ketones Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Ureas Hydrazones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Methoxyaniline - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Methoxybenzene - Aryl ketone - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Monocyclic benzene moiety - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Urea - Ketone - Hydrazone - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic 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