Compound Identification
SMILES
OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.CCOC(=O)CCN(C(=O)C1=CC2=C(C=C1)N(C)C(CNC1=CC=C(C=C1)C(N)=N)=N2)C1=CC=CC=N1
InChIKey
InChIKey=QZNWLYVDOIYSQB-UHFFFAOYSA-N
Formula
C37H37N7O9S2
Mass
787.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-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
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzimidazoles Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines Pyridines and derivatives Imidolactams N-substituted imidazoles Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Tertiary amines Carboximidamides Carboxamidines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Benzimidazole - 1-sulfo,2-unsubstituted aromatic compound - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Pyridine - N-substituted imidazole - Imidolactam - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Secondary amine - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonyl group - Amine - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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