4-(3-ethoxyphenyl)sulfanylbutanoic acid

Systemtic Name: 4-(3-ethoxyphenyl)sulfanylbutanoic acid Openeye Name: 4-(3-ethoxyphenyl)sulfanylbutanoic acid CAS Name: 4-[(3-ethoxyphenyl)thio]butanoic acid IUPAC Name: 4-(3-ethoxyphenyl)sulfanylbutanoic acid Traditional Name: 4-(m-phenetylthio)butyric acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SCCCC(=O)O

Isomeric SMILES

CCOC1=CC(=CC=C1)SCCCC(=O)O

InChI

InChI=1S/C12H16O3S/c1-2-15-10-5-3-6-11(9-10)16-8-4-7-12(13)14/h3,5-6,9H,2,4,7-8H2,1H3,(H,13,14)