Compound Identification
SMILES
CCOP(=O)(OCC)C(C)(C)NC1=C2C=CC=C(C2=C(C=C1N)[N+]([O-])=O)S(N)(=O)=O
InChIKey
InChIKey=GHTRTVNXOLILCE-UHFFFAOYSA-N
Formula
C17H25N4O7PS
Mass
460.44
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 Nitronaphthalenes Nitroaromatic compounds Dialkyl alkylphosphonates Phosphonic acid esters Organosulfonamides Aminosulfonyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Primary amines Organooxygen compounds Organophosphorus compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - 1-naphthalene sulfonamide - 1-nitronaphthalene - Nitroaromatic compound - Dialkyl alkylphosphonate - Phosphonic acid diester - Phosphonic acid ester - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organophosphonic acid derivative - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Amine - Organic zwitterion - Primary amine - Organic salt - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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