Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Naphthalenes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Naphthalenes

Alternative Parents

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

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