Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].[O-]S(=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=MPLWLLUJSSRGCK-AOGSTKAMSA-J
Formula
C29H15ClFN7Na4O13S4
Mass
944.12
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 Aryl ketones Phenylhydrazines 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Chlorobenzenes Halo-S-triazines Aryl fluorides Aryl chlorides Vinylogous amides Sulfonyls Heteroaromatic compounds Organosulfonic acids Azacyclic compounds Hydrazones Secondary amines Organic metal halides Organofluorides Hydrocarbon derivatives Organic oxides Organic sodium salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - Aryl ketone - Phenylhydrazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Halo-s-triazine - Aminotriazine - Chlorobenzene - Halobenzene - 1,3,5-triazine - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Organic metal halide - Secondary amine - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Hydrazone - Organic salt - Organic oxide - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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