Compound Identification
SMILES
[Ca++].CCC1=C(NN=C2C(=O)C(=CC3=CC=CC=C23)S([O-])(=O)=O)C(=CC=C1)[N+]([O-])=O.CCC1=C(NN=C2C(=O)C(=CC3=CC=CC=C23)S([O-])(=O)=O)C(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=YBHZNWWOVZZBLT-UHFFFAOYSA-L
Formula
C36H28CaN6O12S2
Mass
840.85
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
Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Sulfonyls Organosulfonic acids Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic calcium salts Hydrazones Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Naphthalene - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - Cyclic ketone - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic 1,3-dipolar compound - Organic calcium salt - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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