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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16O5S
Molecular Weight 344.382
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(1-Methylethoxy)-7-(methylthio)-9-oxo-9H-xanthene-2-carboxylic acid

SMILES

CSC1=CC2=C(OC3=C(C=C(C=C3)C(O)=O)C2=O)C(OC(C)C)=C1

InChI

InChIKey=KAUFGQPJGLWOOD-UHFFFAOYSA-N
InChI=1S/C18H16O5S/c1-9(2)22-15-8-11(24-3)7-13-16(19)12-6-10(18(20)21)4-5-14(12)23-17(13)15/h4-9H,1-3H3,(H,20,21)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-(1-Methylethoxy)-7-(methylthio)-9-oxo-9H-xanthene-2-carboxylic acid
Systematic Name English
9H-Xanthene-2-carboxylic acid, 5-(1-methylethoxy)-7-(methylthio)-9-oxo-
Preferred Name English
5-Isopropoxy-7-(methylthio)-xanthone-2-carboxylic acid
Systematic Name English
7-METHYLSULFANYL-9-OXO-5-PROPAN-2-YLOXYXANTHENE-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
K8L4C7BCF2
Created by admin on Mon Mar 31 17:57:47 GMT 2025 , Edited by admin on Mon Mar 31 17:57:47 GMT 2025
PRIMARY
PUBCHEM
12877546
Created by admin on Mon Mar 31 17:57:47 GMT 2025 , Edited by admin on Mon Mar 31 17:57:47 GMT 2025
PRIMARY
CAS
74733-78-1
Created by admin on Mon Mar 31 17:57:47 GMT 2025 , Edited by admin on Mon Mar 31 17:57:47 GMT 2025
PRIMARY
NIH
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