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

Systemtic Name: sodium 1-(3-methyl-4-sulfanyl-phenyl)ethanone Openeye Name: sodium 1-(3-methyl-4-sulfanyl-phenyl)ethanone CAS Name: sodium 1-(4-mercapto-3-methylphenyl)ethanone IUPAC Name: sodium 1-(3-methyl-4-sulfanylphenyl)ethanone Traditional Name: sodium 1-(4-mercapto-3-methyl-phenyl)ethanone Formula: C9H10NaOS+ MolecularWeight: 189.22987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C)S.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C)S.[Na+]

InChI

InChI=1S/C9H10OS.Na/c1-6-5-8(7(2)10)3-4-9(6)11;/h3-5,11H,1-2H3;/q;+1