2-[3-(2-methanoylphenoxy)propylsulfanyl]ethanoate

Systemtic Name: 2-[3-(2-methanoylphenoxy)propylsulfanyl]ethanoate Openeye Name: 2-[3-(2-formylphenoxy)propylsulfanyl]acetate CAS Name: 2-[3-(2-formylphenoxy)propylthio]acetate IUPAC Name: 2-[3-(2-formylphenoxy)propylsulfanyl]acetate Traditional Name: 2-[3-(2-formylphenoxy)propylthio]acetate Formula: C12H13O4S- MolecularWeight: 253.29422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)OCCCSCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=O)OCCCSCC(=O)[O-]

InChI

InChI=1S/C12H14O4S/c13-8-10-4-1-2-5-11(10)16-6-3-7-17-9-12(14)15/h1-2,4-5,8H,3,6-7,9H2,(H,14,15)/p-1