5-(4-methoxyphenyl)sulfanylpentanoate

Systemtic Name: 5-(4-methoxyphenyl)sulfanylpentanoate Openeye Name: 5-(4-methoxyphenyl)sulfanylpentanoate CAS Name: 5-[(4-methoxyphenyl)thio]pentanoate IUPAC Name: 5-(4-methoxyphenyl)sulfanylpentanoate Traditional Name: 5-[(4-methoxyphenyl)thio]valerate Formula: C12H15O3S- MolecularWeight: 239.3107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3S/c1-15-10-5-7-11(8-6-10)16-9-3-2-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)/p-1