Compound Identification
SMILES
[O-]C(=O)C1=CC(=CC(=C1)S([O-])(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=ZRPMYHWMBFITIP-UHFFFAOYSA-L
Formula
C7H3NO7S
Mass
245.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
-
Level 5
Sulfobenzoic acids
- Level 6 3-sulfobenzoic acids
-
Level 5
Sulfobenzoic acids
-
Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Sulfobenzoic acids
Direct Parent
3-sulfobenzoic acids
Alternative Parents
Nitrobenzoic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Sulfonyls Organosulfonic acids Carboxylic acid salts Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-sulfobenzoic acid - Nitrobenzoate - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzenesulfonyl group - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Nitroaromatic compound - Benzoyl - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Carboxylic acid salt - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.
External Descriptors
Not available