Compound Identification
SMILES
COC1=CC2=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(S4)C4=CC=CC=C4C=C5S(O)(=O)=O)C(C)=C3)C(C)=C2)C1=O
InChIKey
InChIKey=ACJNFLKTTKDFPB-UHFFFAOYSA-N
Formula
C45H40N10O12S5
Mass
1073.17
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
Azobenzenes 2-naphthalene sulfonic acids and derivatives Naphthothiazoles Benzimidazoles Benzothiazoles 1-sulfo,2-unsubstituted aromatic compounds Thiophenol ethers Anisoles Phenoxy compounds Phenylhydrazines Alkyl aryl ethers N-acylimidazoles Alkylarylthioethers Toluenes Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Thiazoles Lactams Azo compounds Azacyclic compounds Sulfenyl compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Hydrazones Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azobenzene - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Naphthothiazole - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzimidazole - 1,3-benzothiazole - Phenylhydrazine - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Thiophenol ether - N-acylimidazole - Alkyl aryl ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Thiazole - Sulfonyl - Alkanesulfonic acid - Organosulfonic acid - Imidazole - 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 - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Cyanide - Organonitrogen compound - Organooxygen compound - 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