5-(3-methoxyphenyl)sulfanylpentanoate

Systemtic Name: 5-(3-methoxyphenyl)sulfanylpentanoate Openeye Name: 5-(3-methoxyphenyl)sulfanylpentanoate CAS Name: 5-[(3-methoxyphenyl)thio]pentanoate IUPAC Name: 5-(3-methoxyphenyl)sulfanylpentanoate Traditional Name: 5-[(3-methoxyphenyl)thio]valerate Formula: C12H15O3S- MolecularWeight: 239.3107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCCCCC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)SCCCCC(=O)[O-]

InChI

InChI=1S/C12H16O3S/c1-15-10-5-4-6-11(9-10)16-8-3-2-7-12(13)14/h4-6,9H,2-3,7-8H2,1H3,(H,13,14)/p-1