Compound Identification
SMILES
OS(=O)(=O)C1=CC2=CC=CC=C2C=C1.CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)C=C[N+]([O-])=C1C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PTBJPPHXCFWTIB-AFCPYBGBSA-N
Formula
C38H45BrN4O6S
Mass
765.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
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 Pyridinecarboxylic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds N-acylpiperidines Aminopiperidines Methylpyridines Bromobenzenes Pyridinium derivatives Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Organic salts Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - N-acyl-piperidine - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 4-aminopiperidine - Bromobenzene - Methylpyridine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Pyridinium - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic salt - Amine - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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