4-ethyl-2-(sulfanylmethyl)octanoic acid

Systemtic Name: 4-ethyl-2-(sulfanylmethyl)octanoic acid Openeye Name: 4-ethyl-2-(sulfanylmethyl)octanoic acid CAS Name: 4-ethyl-2-(mercaptomethyl)octanoic acid IUPAC Name: 4-ethyl-2-(sulfanylmethyl)octanoic acid Traditional Name: 4-ethyl-2-(mercaptomethyl)caprylic acid Formula: C11H22O2S MolecularWeight: 218.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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