Compound Identification
SMILES
OC(=O)C1=CC=CC=C1SC(=O)CC1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=ZSGVATMATIZLGX-UHFFFAOYSA-N
Formula
C17H14O5S
Mass
330.35
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
O-sulfanylbenzoic acids and derivatives
- Level 7 O-sulfanylbenzoic acids
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Level 6
O-sulfanylbenzoic acids and derivatives
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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 - O-sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids
Alternative Parents
Benzo-1,4-dioxanes Thiophenol esters Benzoic acids Aryl thioethers Benzoyl derivatives Alkyl aryl ethers Para dioxins Carbothioic S-esters Thioesters Carboxylic acids Oxacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - O-sulfanylbenzoic acid - Benzoic acid - Thiophenol ester - Aryl thioether - Benzoyl - Alkyl aryl ether - Para-dioxin - Carbothioic s-ester - Thiocarboxylic acid ester - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available