Compound Identification
SMILES
CC1=CC(SSC2=C(C)C=C(C(O)=O)C(C)=C2)=C(C)C=C1C(O)=O
InChIKey
InChIKey=IVFOUSVJOQMMEE-UHFFFAOYSA-N
Formula
C18H18O4S2
Mass
362.46
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
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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
Benzoic acids p-Xylenes Benzoyl derivatives Dicarboxylic acids and derivatives Organic disulfides Sulfenyl compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid - Benzoic acid - Benzoyl - P-xylene - Xylene - Dicarboxylic acid or derivatives - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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