Compound Identification
SMILES
OCC1=CC=C(C=C1)C1CC(CSC2=CC=C(C=C2)C(O)=O)OC(O1)C1=CC(NC(=O)CCCC(=O)NO)=CC=C1
InChIKey
InChIKey=LSQNSXYTDOXUKI-UHFFFAOYSA-N
Formula
C30H32N2O8S
Mass
580.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids and derivatives
-
Level 6
P-sulfanylbenzoic acids and derivatives
- Level 7 P-sulfanylbenzoic acids
-
Level 6
P-sulfanylbenzoic acids and derivatives
-
Level 5
Sulfanylbenzoic acids 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
Sulfanylbenzoic acids and derivatives - P-sulfanylbenzoic acids and derivatives
Direct Parent
P-sulfanylbenzoic acids
Alternative Parents
Anilides Benzoic acids Thiophenol ethers N-arylamides Benzyl alcohols Benzoyl derivatives Alkylarylthioethers 1,3-dioxanes Fatty amides Secondary carboxylic acid amides Hydroxamic acids Sulfenyl compounds Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Anilide - Aryl thioether - Benzoyl - Benzyl alcohol - N-arylamide - Thiophenol ether - Alkylarylthioether - Meta-dioxane - Fatty amide - Fatty acyl - Carboxamide group - Hydroxamic acid - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary alcohol - Aromatic alcohol - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
External Descriptors
Not available