sodium 1-(3-methoxy-4-sulfanyl-phenyl)ethanone

Systemtic Name: sodium 1-(3-methoxy-4-sulfanyl-phenyl)ethanone Openeye Name: sodium 1-(3-methoxy-4-sulfanyl-phenyl)ethanone CAS Name: sodium 1-(4-mercapto-3-methoxyphenyl)ethanone IUPAC Name: sodium 1-(3-methoxy-4-sulfanylphenyl)ethanone Traditional Name: sodium 1-(4-mercapto-3-methoxy-phenyl)ethanone Formula: C9H10NaO2S+ MolecularWeight: 205.22927

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)S)OC.[Na+]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)S)OC.[Na+]

InChI

InChI=1S/C9H10O2S.Na/c1-6(10)7-3-4-9(12)8(5-7)11-2;/h3-5,12H,1-2H3;/q;+1