2-(4-methoxycarbonylphenyl)sulfanylhexanoic acid

Systemtic Name: 2-(4-methoxycarbonylphenyl)sulfanylhexanoic acid Openeye Name: 2-(4-methoxycarbonylphenyl)sulfanylhexanoic acid CAS Name: 2-[(4-methoxycarbonylphenyl)thio]hexanoic acid IUPAC Name: 2-(4-methoxycarbonylphenyl)sulfanylhexanoic acid Traditional Name: 2-[(4-carbomethoxyphenyl)thio]hexanoic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCC(C(=O)O)SC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H18O4S/c1-3-4-5-12(13(15)16)19-11-8-6-10(7-9-11)14(17)18-2/h6-9,12H,3-5H2,1-2H3,(H,15,16)