Compound Identification
SMILES
COC1=CC(=C(NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C#N)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VGWAULZQCZITFB-UHFFFAOYSA-N
Formula
C27H19N3O7S
Mass
529.52
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
-
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 Cinnamic acid amides Coumaric acids and derivatives Nitrophenyl ethers Anilides Arylsulfonic acids and derivatives Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds N-arylamides Methoxybenzenes Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic oxides Organic zwitterions Carbonyl compounds Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Coumaric acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Nitrophenyl ether - Nitrobenzene - Arylsulfonic acid or derivatives - Anilide - Methoxyaniline - Phenoxy compound - N-arylamide - Phenol ether - Methoxybenzene - Anisole - Nitroaromatic compound - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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