2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid; sodium

Systemtic Name: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid; sodium Openeye Name: 2-(1-ethyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid; sodium CAS Name: 2-[3-methylpent-1-yn-3-yloxy(oxo)methyl]benzoic acid; sodium IUPAC Name: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid; sodium Traditional Name: 2-(1-ethyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid; sodium Formula: C14H14NaO4 MolecularWeight: 269.24833

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O.[Na]

Isomeric SMILES

CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O.[Na]

InChI

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);