3-Thioanisoyl-1,2,2-Trimethylcyclopentane-1-Carboxylic Acid
[CAS# 61469-03-2]

Identification

• Name: 3-Thioanisoyl-1,2,2-Trimethylcyclopentane-1-Carboxylic Acid
• Synonyms: 1,2,2-Trimethyl-3-[[4-(Methylthio)Phenyl]-Oxomethyl]-1-Cyclopentanecarboxylic Acid; 1,2,2-Trimethyl-3-[4-(Methylthio)Benzoyl]Cyclopentane-1-Carboxylic Acid; 1,2,2-Trimethyl-3-(4-Methylsulfanylphenyl)Carbonyl-Cyclopentane-1-Carboxylic Acid
• Molecular Formula: C₁₇H₂₂O₃S
• Molecular Weight: 306.42
• CAS Registry Number: 61469-03-2
• SMILES: C1=CC(=CC=C1C(C2C(C(CC2)(C(=O)O)C)(C)C)=O)SC
• InChI: 1S/C17H22O3S/c1-16(2)13(9-10-17(16,3)15(19)20)14(18)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,19,20)
• InChIKey: XWTSRBQUGSDXQQ-UHFFFAOYSA-N