Compound Identification
SMILES
[Ca++].[O-]S(=O)(=O)C1=C(N\N=C2/C(=O)C=CC3=CC=CC=C23)C2=CC=CC=C2C=C1.[O-]S(=O)(=O)C1=C(N\N=C2/C(=O)C=CC3=CC=CC=C23)C2=CC=CC=C2C=C1
InChIKey
InChIKey=RWPSKJABQLKWAH-UIZLRWRNSA-L
Formula
C40H26CaN4O8S2
Mass
794.87
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
2-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines Sulfonyls Organosulfonic acids Cyclic ketones Organic calcium salts Hydrazones Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Cyclic ketone - Hydrazone - Organic calcium salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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