Compound Identification
SMILES
[Na+].COC1=C(N\N=C2\C(=O)C3=C(C=C(NC4=NC(NC5=C(OC)C=C(N=NC6=C7C(O)=CC(=CC7=CC(=C6)S(O)(=O)=O)S([O-])(=O)=O)C(C)=C5)=NC(NCCO)=N4)C=C3)C=C2S(O)(=O)=O)C=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=XSDNVRRIQMHFRW-LWBSWTJCSA-M
Formula
C40H35N10NaO17S4
Mass
1079.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Naphthalenes
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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
2-naphthalene sulfonic acids and derivatives Naphthols and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Methoxyanilines 1-sulfo,2-unsubstituted aromatic compounds Anisoles Aryl ketones Methoxybenzenes Phenylhydrazines Phenoxy compounds N-aliphatic s-triazines Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,3,5-triazines Heteroaromatic compounds Sulfonyls Organosulfonic acids Azo compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Hydrazones Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenoxy compound - Phenylhydrazine - Aryl ketone - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Anisole - Alkyl aryl ether - Phenol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Triazine - Monocyclic benzene moiety - 1,3,5-triazine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Azo compound - Ketone - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic alkali metal salt - Ether - Hydrazone - Alkanolamine - Primary alcohol - Organic nitrogen compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic cation - 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