2-[2-(4-methanoyl-2-methoxy-phenoxy)ethylsulfanyl]ethanoate

Systemtic Name: 2-[2-(4-methanoyl-2-methoxy-phenoxy)ethylsulfanyl]ethanoate Openeye Name: 2-[2-(4-formyl-2-methoxy-phenoxy)ethylsulfanyl]acetate CAS Name: 2-[2-(4-formyl-2-methoxyphenoxy)ethylthio]acetate IUPAC Name: 2-[2-(4-formyl-2-methoxyphenoxy)ethylsulfanyl]acetate Traditional Name: 2-[2-(4-formyl-2-methoxy-phenoxy)ethylthio]acetate Formula: C12H13O5S- MolecularWeight: 269.29362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCCSCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCCSCC(=O)[O-]

InChI

InChI=1S/C12H14O5S/c1-16-11-6-9(7-13)2-3-10(11)17-4-5-18-8-12(14)15/h2-3,6-7H,4-5,8H2,1H3,(H,14,15)/p-1