Compound Identification
SMILES
[Ca++].CCOC1=CC(=C(NN=C2C(=O)C(=CC3=C2C=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)C=C1)S([O-])(=O)=O
InChIKey
InChIKey=HRJZNFURGWZKEO-UHFFFAOYSA-K
Formula
C18H13CaN2O11S3
Mass
569.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenylhydrazines Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfonyls Organosulfonic acids Cyclic ketones Organic calcium salts Hydrazones Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Cyclic ketone - Hydrazone - Ether - Organic calcium salt - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors
Not available