Compound Identification
SMILES
[Ca++].CC1=CC=CC=C1NC(=O)CC(=O)CN=NC1=C(C=C(C=C1)S([O-])(=O)=O)[N+]([O-])=O.CC1=CC=CC=C1NC(=O)CC(=O)CN=NC1=C(C=C(C=C1)S([O-])(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=JAHRTQLUBJTOSN-UHFFFAOYSA-L
Formula
C34H30CaN8O14S2
Mass
878.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Anilides Benzenesulfonyl compounds Nitrobenzenes N-arylamides Nitroaromatic compounds Toluenes 1,3-dicarbonyl compounds Fatty amides Organosulfonic acids Sulfonyls Ketones Azo compounds Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic calcium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Anilide - Nitroaromatic compound - N-arylamide - Toluene - Fatty acyl - Fatty amide - 1,3-dicarbonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - Azo compound - Carboxamide group - Ketone - C-nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic calcium salt - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available