Compound Identification
SMILES
O=C1NC(=S)SC1=CC1=CC(OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=CC=C1
InChIKey
InChIKey=RDNLDEBUUPFGFH-UHFFFAOYSA-N
Formula
C20H13NO4S3
Mass
427.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Arylsulfonic acids and derivatives Phenoxy compounds Thiazolidinethiones Organosulfonic acid esters Sulfonyls Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Phenoxy compound - Monocyclic benzene moiety - Organosulfonic acid ester - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Dithiocarbamic acid ester - Sulfonyl - Thiazolidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available