Compound Identification
SMILES
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(NC5=CC=CC=C5)=N4)C=C3)C=C2S(O)(=O)=O)C=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=OXUUNWZAFADSJO-VWZLDRBLSA-N
Formula
C44H36N10O16S4
Mass
1089.07
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
-
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Methoxyanilines Phenylhydrazines Phenoxy compounds Methoxybenzenes Aryl ketones Anisoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Toluenes Aminotriazines Alkyl aryl ethers 1,3,5-triazines Organosulfonic acids Heteroaromatic compounds Sulfonyls Azo compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Phenylhydrazine - Methoxybenzene - Aniline or substituted anilines - Aryl ketone - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Triazine - 1,3,5-triazine - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azo compound - Ketone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Hydrazone - Ether - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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