Compound Identification
SMILES
CC1=CC(N=NC2=CC(=C(NC3=CC=CC=C3)C=C2)S(O)(=O)=O)=C(NS(C)(=O)=O)C=C1N=NC1=CC(N=NC2=C3C=CC(=CC3=C(C=C2O)S(O)(=O)=O)[N+]([O-])=O)=C(O)C(N=NC2=CC=CC=C2)=C1O
InChIKey
InChIKey=BCPNOWKKINQPFP-UHFFFAOYSA-N
Formula
C42H33N11O13S3
Mass
995.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
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Level 5
Naphthalene sulfonates
- Level 6 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives Azobenzenes Nitronaphthalenes Naphthols and derivatives Sulfanilides Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Resorcinols Aniline and substituted anilines Nitroaromatic compounds Toluenes 1-hydroxy-2-unsubstituted benzenoids Primary aromatic amines Organosulfonamides Organic sulfonamides Organosulfonic acids Aminosulfonyl compounds Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organooxygen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azobenzene - 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-nitronaphthalene - 2-naphthol - Sulfanilide - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Nitroaromatic compound - Aniline or substituted anilines - Resorcinol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Organic sulfonic acid amide - Monocyclic benzene moiety - Organosulfonic acid amide - Primary aromatic amine - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic nitro compound - Azo compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available