Compound Identification
SMILES
CC1=CC(N=NC2=C3C=CC=C(C3=C(NC3=NC(Cl)=NC(N)=N3)C=C2)S(O)(=O)=O)=C(C)C=C1N=NC1=C(C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=QFGRYMRXLSEGSS-UHFFFAOYSA-N
Formula
C27H22ClN9O9S3
Mass
748.16
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
-
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 Azobenzenes Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds p-Xylenes 1,3,5-triazine-2,4-diamines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organochlorides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 2,4-diamine-s-triazine - P-xylene - Xylene - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen 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 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