2-[3-(4-methanoylphenoxy)propylsulfanyl]ethanoate

Systemtic Name: 2-[3-(4-methanoylphenoxy)propylsulfanyl]ethanoate Openeye Name: 2-[3-(4-formylphenoxy)propylsulfanyl]acetate CAS Name: 2-[3-(4-formylphenoxy)propylthio]acetate IUPAC Name: 2-[3-(4-formylphenoxy)propylsulfanyl]acetate Traditional Name: 2-[3-(4-formylphenoxy)propylthio]acetate Formula: C12H13O4S- MolecularWeight: 253.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)OCCCSCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=O)OCCCSCC(=O)[O-]

InChI

InChI=1S/C12H14O4S/c13-8-10-2-4-11(5-3-10)16-6-1-7-17-9-12(14)15/h2-5,8H,1,6-7,9H2,(H,14,15)/p-1