Compound Identification
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OCC[C@H]1C(=O)N[C@@]2([C@@H](O)C3CCCC=C3)C(=O)O[C@@]12C
InChIKey
InChIKey=KHUBMJSUZYEULF-UHRXLDGPSA-N
Formula
C27H32N2O7S
Mass
528.62
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 Alpha amino acids and derivatives Arylsulfonic acids and derivatives Oxoprolines Dialkylarylamines 1,4-oxazepines Pyrrolidine-2-ones Organosulfonic acid esters Sulfonyls Beta propiolactones Secondary carboxylic acid amides Secondary alcohols Oxetanes Carboxylic acid esters Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - Arylsulfonic acid or derivatives - Oxoproline - Dialkylarylamine - Para-oxazepine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid ester - Beta_propiolactone - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Oxetane - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - 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