[1-(2-ethylhexoxy)-3-sulfanyl-propan-2-yl] ethanoate

Systemtic Name: [1-(2-ethylhexoxy)-3-sulfanyl-propan-2-yl] ethanoate Openeye Name: [1-(2-ethylhexoxymethyl)-2-sulfanyl-ethyl] acetate CAS Name: acetic acid [1-(2-ethylhexoxy)-3-mercaptopropan-2-yl] ester IUPAC Name: [1-(2-ethylhexoxy)-3-sulfanylpropan-2-yl] acetate Traditional Name: acetic acid [1-(2-ethylhexoxymethyl)-2-mercapto-ethyl] ester Formula: C13H26O3S MolecularWeight: 262.40874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(CS)OC(=O)C

Isomeric SMILES

CCCCC(CC)COCC(CS)OC(=O)C

InChI

InChI=1S/C13H26O3S/c1-4-6-7-12(5-2)8-15-9-13(10-17)16-11(3)14/h12-13,17H,4-10H2,1-3H3