Compound Identification
SMILES
NC(=O)NC1=C(C=CC(NC2=NC(F)=NC(N)=N2)=C1)N=NC1=C(C=C2C=C(C=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=KHMYOGCWNZMAQP-UHFFFAOYSA-N
Formula
C20H16FN9O10S3
Mass
657.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
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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
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Halo-S-triazines Aryl fluorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Ureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Carbonyl compounds Organofluorides Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - N-phenylurea - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Halo-s-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azo compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organic nitrogen 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