Compound Identification
SMILES
CCCCSC1=C(C=C2C(=O)OC(=O)C3=CC=CC1=C23)[N+]([O-])=O
InChIKey
InChIKey=ATPXYUQFGDDXGK-UHFFFAOYSA-N
Formula
C16H13NO5S
Mass
331.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalenecarboxylic acids and derivatives
- Level 5 1,8-naphthalic anhydrides
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Subclass
Naphthalenecarboxylic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1,8-naphthalic anhydrides
Alternative Parents
Nitronaphthalenes 2-benzopyrans Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Carboxylic acid anhydrides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,8-naphthalic anhydride - 2-nitronaphthalene - Benzopyran - 2-benzopyran - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Carboxylic acid anhydride - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,8-naphthalic anhydrides. These are organic aromatic compounds that contain a naphthalene carrying two carboxyl groups at the 1- and 8-positions. In naphthalene anhydrides, the two carboxyl groups at the 1- and 8-positions share one oxygen atom.
External Descriptors
Not available