Compound Identification
SMILES
[Ba++].[Ba++].[Ba++].[O-]S(=O)(=O)C1=CC2=C(C=C1)\C(=N/NC1=C(C3=CC=CC=C3C=C1)S([O-])(=O)=O)C(=O)C(=C2)S([O-])(=O)=O.[O-]S(=O)(=O)C1=CC2=C(C=C1)\C(=N/NC1=C(C3=CC=CC=C3C=C1)S([O-])(=O)=O)C(=O)C(=C2)S([O-])(=O)=O
InChIKey
InChIKey=RECDBCGNXNHDGN-QYOXTMNHSA-H
Formula
C40H22Ba3N4O20S6
Mass
1482.97
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
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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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines Sulfonyls Organosulfonic acids Cyclic ketones Hydrazones Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Cyclic ketone - Hydrazone - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homopolycyclic 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