(2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-2-phenyl-ethanoic acid

Systemtic Name: (2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-2-phenyl-ethanoic acid Openeye Name: (2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-2-phenyl-acetic acid CAS Name: (2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-2-phenylacetic acid IUPAC Name: (2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-2-phenylacetic acid Traditional Name: (2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-2-phenyl-acetic acid Formula: C13H14O2S2 MolecularWeight: 266.37906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CSC(=C(C2=CC=CC=C2)C(=O)O)S1

Isomeric SMILES

CCC1CS/C(=C(/C2=CC=CC=C2)\C(=O)O)/S1

InChI

InChI=1S/C13H14O2S2/c1-2-10-8-16-13(17-10)11(12(14)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,15)/b13-11+