Compound Identification
SMILES
Oc1c(\N=N\c2ccc3c(cccc3c2S(O)(=O)=O)S(O)(=O)=O)c(cc2cc(cc(NC(=O)Nc3cccc(c3)S(=O)(=O)CCCl)c12)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=PATSBXJKDVSKQR-JEIPZWNWSA-N
Formula
C29H23ClN4O16S5
Mass
879.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
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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 Naphthols and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1-hydroxy-4-unsubstituted benzenoids Sulfones Organosulfonic acids Ureas Azo compounds Propargyl-type 1,3-dipolar organic compounds Alkyl chlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - 1-naphthol - N-phenylurea - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azo compound - Carbonic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Alkyl chloride - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Aromatic homopolycyclic 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