Compound Identification
SMILES
CC1(C)CCOC2=C1C=C(C=C2)C#CC1=CC=C(S1)C(O)=O
InChIKey
InChIKey=DJKXEGXPPXBARY-UHFFFAOYSA-N
Formula
C18H16O3S
Mass
312.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Thiophene carboxylic acids Alkyl aryl ethers 2,5-disubstituted thiophenes Benzenoids Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - 2,5-disubstituted thiophene - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available