4-(2-propylsulfanylethoxy)benzoic acid

Systemtic Name: 4-(2-propylsulfanylethoxy)benzoic acid Openeye Name: 4-(2-propylsulfanylethoxy)benzoic acid CAS Name: 4-[2-(propylthio)ethoxy]benzoic acid IUPAC Name: 4-(2-propylsulfanylethoxy)benzoic acid Traditional Name: 4-[2-(propylthio)ethoxy]benzoic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCOC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCSCCOC1=CC=C(C=C1)C(=O)O

InChI

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