Compound Identification
SMILES
OS(=O)(=O)C1=CC(NC2=NC(F)=NC(NC3=CC=C(Cl)C=C3)=N2)=C2C(=C1)C=C(\C(=N/NC1=C(C3=C(C=C1)C(=CC=C3)S(O)(=O)=O)S(O)(=O)=O)C2=O)S(O)(=O)=O
InChIKey
InChIKey=KWEWCPDUKHCLNJ-RQXXSLPSSA-N
Formula
C29H19ClFN7O13S4
Mass
856.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1,3,5-triazine-2,4-diamines Phenylhydrazines Aniline and substituted anilines Aryl ketones Chlorobenzenes Halo-S-triazines Aryl chlorides Aryl fluorides Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Hydrazones Secondary amines Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Phenylhydrazine - 2,4-diamine-s-triazine - Aryl ketone - Aniline or substituted anilines - Amino-1,3,5-triazine - Chlorobenzene - Halo-s-triazine - Halobenzene - Aminotriazine - 1,3,5-triazine - Monocyclic benzene moiety - Triazine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrazone - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available