Compound Identification
SMILES
BrC1=CC=C(NS(=O)(=O)C2=C3C=CC=C4C(=O)SC(C=C2)=C34)C=C1
InChIKey
InChIKey=WAKIIHAZVVCGPA-UHFFFAOYSA-N
Formula
C17H10BrNO3S2
Mass
420.3
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
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Sulfanilides Aryl thioethers Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Carbothioic S-lactones Thioesters Organoheterocyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Sulfanilide - Aryl thioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Sulfonyl - Carbothioic s-lactone - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-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 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available