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

Systemtic Name: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid Openeye Name: 2-(1-ethyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid CAS Name: 2-[3-methylpent-1-yn-3-yloxy(oxo)methyl]benzoic acid IUPAC Name: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid Traditional Name: 2-(1-ethyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid Formula: C14H14O4 MolecularWeight: 246.25856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H14O4/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)