3-cyclopentyloxy-4-methylsulfanyl-benzoic acid

Systemtic Name: 3-cyclopentyloxy-4-methylsulfanyl-benzoic acid Openeye Name: 3-(cyclopentoxy)-4-methylsulfanyl-benzoic acid CAS Name: 3-cyclopentyloxy-4-(methylthio)benzoic acid IUPAC Name: 3-cyclopentyloxy-4-methylsulfanylbenzoic acid Traditional Name: 3-(cyclopentoxy)-4-(methylthio)benzoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)O)OC2CCCC2

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)O)OC2CCCC2

InChI

InChI=1S/C13H16O3S/c1-17-12-7-6-9(13(14)15)8-11(12)16-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15)