4-ethyl-2-methyl-2-sulfanyl-octanoate

Systemtic Name: 4-ethyl-2-methyl-2-sulfanyl-octanoate Openeye Name: 4-ethyl-2-methyl-2-sulfanyl-octanoate CAS Name: 4-ethyl-2-mercapto-2-methyloctanoate IUPAC Name: 4-ethyl-2-methyl-2-sulfanyloctanoate Traditional Name: 4-ethyl-2-mercapto-2-methyl-caprylate Formula: C11H21O2S- MolecularWeight: 217.34824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C)(C(=O)[O-])S

Isomeric SMILES

CCCCC(CC)CC(C)(C(=O)[O-])S

InChI

InChI=1S/C11H22O2S/c1-4-6-7-9(5-2)8-11(3,14)10(12)13/h9,14H,4-8H2,1-3H3,(H,12,13)/p-1