2-[(2S)-but-3-yn-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(2S)-but-3-yn-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S)-1-methylprop-2-ynoxy]carbonylbenzoic acid CAS Name: 2-[[(2S)-but-3-yn-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(2S)-but-3-yn-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S)-1-methylprop-2-ynoxy]carbonylbenzoic acid Formula: C12H10O4 MolecularWeight: 218.2054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C#C)OC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H10O4/c1-3-8(2)16-12(15)10-7-5-4-6-9(10)11(13)14/h1,4-8H,2H3,(H,13,14)/t8-/m0/s1