2-(2-propyl-4-sulfanyl-phenoxy)ethanoate

Systemtic Name: 2-(2-propyl-4-sulfanyl-phenoxy)ethanoate Openeye Name: 2-(2-propyl-4-sulfanyl-phenoxy)acetate CAS Name: 2-(4-mercapto-2-propylphenoxy)acetate IUPAC Name: 2-(2-propyl-4-sulfanylphenoxy)acetate Traditional Name: 2-(4-mercapto-2-propyl-phenoxy)acetate Formula: C11H13O3S- MolecularWeight: 225.28412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S)OCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1)S)OCC(=O)[O-]

InChI

InChI=1S/C11H14O3S/c1-2-3-8-6-9(15)4-5-10(8)14-7-11(12)13/h4-6,15H,2-3,7H2,1H3,(H,12,13)/p-1