octan-2-yl 2-sulfanylethanoate

Systemtic Name: octan-2-yl 2-sulfanylethanoate Openeye Name: 1-methylheptyl 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid 1-methylheptyl ester Formula: C10H20O2S MolecularWeight: 204.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CS

Isomeric SMILES

CCCCCCC(C)OC(=O)CS

InChI

InChI=1S/C10H20O2S/c1-3-4-5-6-7-9(2)12-10(11)8-13/h9,13H,3-8H2,1-2H3