Compound Identification
SMILES
NCCSSC1=C(C=CC(=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=TZHSLRMMAZESAO-UHFFFAOYSA-N
Formula
C10H11NO4S2
Mass
273.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 P-phthalic acid and derivatives
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
P-phthalic acid and derivatives
Alternative Parents
O-sulfanylbenzoic acids M-sulfanylbenzoic acids Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Organic disulfides Amino acids Sulfenyl compounds Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para_phthalic_acid - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available