2-(3-Methylpent-1-Yn-3-Yloxycarbonyl)Benzoic Acid
[CAS# 16509-28-7]

Identification

• Name: 2-(3-Methylpent-1-Yn-3-Yloxycarbonyl)Benzoic Acid
• Synonyms: 2-(1-Ethyl-1-Methyl-Prop-2-Ynoxy)Carbonylbenzoic Acid; Sodium; 2-[(1-Ethyl-1-Methylprop-2-Ynoxy)-Oxomethyl]Benzoic Acid; Sodium; 1,2-Benzenedicarboxylic Acid, Mono(1-Ethyl-1-Methyl-2-Propynyl) Ester, Sodium Salt
• Molecular Formula: C₁₄H₁₄NaO₄
• Molecular Weight: 269.25
• CAS Registry Number: 16509-28-7
• SMILES: [Na].C1=CC=CC(=C1C(OC(CC)(C)C#C)=O)C(O)=O
• InChI: 1S/C14H14O4.Na/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16;/h1,6-9H,5H2,2-3H3,(H,15,16)
• InChIKey: DZPIYQOKDSJUJC-UHFFFAOYSA-N