Compound Identification
SMILES
COC1=C(C2=C(C=C1)N1C(=N2)C(C#N)=C(C)C(=NNC2=C(OCCCS(O)(=O)=O)C=C(N=NC3=C(SCCCS(O)(=O)=O)C=C(N=NC4=NC5=C(C=C6C(CO)=CC(=CC6=C5S4)S(O)(=O)=O)S(O)(=O)=O)C(C)=C3)C(C)=C2)C1=O)S(O)(=O)=O
InChIKey
InChIKey=UHIJGFALEKZSLA-UHFFFAOYSA-N
Formula
C46H42N10O19S7
Mass
1263.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Azobenzenes 2-naphthalene sulfonic acids and derivatives Naphthothiazoles Benzothiazoles Benzimidazoles 1-sulfo,2-unsubstituted aromatic compounds Thiophenol ethers Anisoles Phenoxy compounds Phenylhydrazines Alkyl aryl ethers Alkylarylthioethers N-acylimidazoles Toluenes Sulfonyls Heteroaromatic compounds Organosulfonic acids Thiazoles Alkanesulfonic acids Lactams Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Sulfenyl compounds Nitriles Hydrazones Aromatic alcohols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthothiazole - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1,3-benzothiazole - Benzimidazole - Phenylhydrazine - Thiophenol ether - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Alkyl aryl ether - N-acylimidazole - Toluene - Alkylarylthioether - N-substituted imidazole - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Thiazole - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Organosulfonic acid or derivatives - Imidazole - Azole - Heteroaromatic compound - Azo compound - Lactam - Thioether - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonitrile - Nitrile - Cyanide - Alcohol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic alcohol - Aromatic heteropolycyclic 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