sulfanyl 4-ethyl-2-oxidanyl-octanoate

Systemtic Name: sulfanyl 4-ethyl-2-oxidanyl-octanoate Openeye Name: sulfanyl 4-ethyl-2-hydroxy-octanoate CAS Name: 4-ethyl-2-hydroxyoctanoic acid mercapto ester IUPAC Name: sulfanyl 4-ethyl-2-hydroxyoctanoate Traditional Name: 4-ethyl-2-hydroxy-caprylic acid mercapto ester Formula: C10H20O3S MolecularWeight: 220.329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)OS)O

Isomeric SMILES

CCCCC(CC)CC(C(=O)OS)O

InChI

InChI=1S/C10H20O3S/c1-3-5-6-8(4-2)7-9(11)10(12)13-14/h8-9,11,14H,3-7H2,1-2H3