Compound Identification
SMILES
OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.CC(C)(C)C(OCC1=CC=C(Cl)C=C1)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1
InChIKey
InChIKey=KFNFJBJAKOYHQJ-UHFFFAOYSA-N
Formula
C31H31Cl2N3O8S2
Mass
708.62
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 1-sulfo,2-unsubstituted aromatic compounds Benzylethers Phenoxy compounds Phenol ethers Chlorobenzenes Aryl chlorides Triazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - Benzylether - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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