Compound Identification
SMILES
COC1=C(NC(=O)NC2=CC3=C(C=C2)C(=O)\C(=N/NC2=CC=CC=C2C(O)=O)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=WUSHDXULZJRWDX-LJCDMIOQSA-N
Formula
C42H32N6O17S4
Mass
1020.98
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
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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 Benzoic acids Methoxyanilines Phenylhydrazines Phenoxy compounds Aryl ketones Benzoyl derivatives Anisoles Methoxybenzenes Alkyl aryl ethers Toluenes Organosulfonic acid esters Vinylogous amides Sulfonyls Organosulfonic acids Ureas Azo compounds Hydrazones Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate ester - N-phenylurea - Benzenesulfonate - Benzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Phenylhydrazine - Anisole - Methoxybenzene - Aryl ketone - Toluene - Alkyl aryl ether - Organosulfonic acid ester - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Vinylogous amide - Organic sulfonic acid or derivatives - Urea - Azo compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrazone - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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