Compound Identification
SMILES
CCN(C1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O)C1=NC(Cl)=NC(NC2=CC=C(C=C2)N=NC2=CC=C(C=C2)N=NC2=CC(=C3C=C(SOOO)C=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)=N1
InChIKey
InChIKey=MWHYOUNQFJZNCU-UHFFFAOYSA-N
Formula
C35H30ClN9O15S5
Mass
1012.42
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 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives Azobenzenes Alkyldiarylamines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1,3,5-triazine-2,4-diamines Aniline and substituted anilines N-aliphatic s-triazines Chloro-s-triazines Sulfuric acid monoesters Alkyl sulfates Aryl chlorides Sulfones Organosulfonic acids Heteroaromatic compounds Azo compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Alkyldiarylamine - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - N-aliphatic s-triazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Triazine - Alkyl sulfate - Sulfuric acid ester - 1,3,5-triazine - Heteroaromatic compound - Organic sulfuric acid or derivatives - Sulfone - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Tertiary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Secondary amine - Amine - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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