Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].COC1=C(NC(=O)NC2=CC3=C(C=C2)C(=O)C(=NNC2=CC=C(NC4=C(C=C(C=C4)[N+]([O-])=O)S([O-])(=O)=O)C=C2)C(=C3)S([O-])(=O)=O)C=C(C)C(=C1)N=NC1=C2C(OS(=O)(=O)C3=CC=CC=C3)=CC(=CC2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=YTTZOQSABAPQGJ-UHFFFAOYSA-J
Formula
C47H32N8Na4O20S5
Mass
1281.07
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
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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
2-naphthalene sulfonic acids and derivatives Benzenesulfonate esters N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Nitrobenzenes Phenoxy compounds Phenylhydrazines Aryl ketones Anisoles Nitroaromatic compounds Methoxybenzenes Toluenes Alkyl aryl ethers Organosulfonic acid esters Primary aromatic amines Organosulfonic acids Sulfonyls Azo compounds Ureas Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic oxoazanium compounds Hydrazones Organic oxides Organic sodium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate ester - N-phenylurea - Benzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Phenylhydrazine - Aryl ketone - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Organosulfonic acid ester - Primary aromatic amine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic nitro compound - Ketone - C-nitro compound - Urea - Organic alkali metal salt - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Hydrazone - Organic oxoazanium - Secondary amine - Organic oxide - Amine - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic homopolycyclic 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