2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylthio]acetate IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)thio]acetate Formula: C10H10ClO3S- MolecularWeight: 245.7026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSCC(=O)[O-]

InChI

InChI=1S/C10H11ClO3S/c1-14-9-3-2-8(11)4-7(9)5-15-6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)/p-1