Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1C(=O)OCC#CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=BZDUDQSMHMIJKV-UHFFFAOYSA-N
Formula
C28H19N3O6S2
Mass
557.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Nitrobenzoic acids and derivatives Benzoic acid esters Benzimidazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers N-substituted imidazoles Organosulfonic acids and derivatives Heteroaromatic compounds Sulfonyls Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Nitrobenzoate - Benzoate ester - Benzimidazole - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Alkylarylthioether - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available