2-hexyl-2-sulfanyl-octanoic acid

Systemtic Name: 2-hexyl-2-sulfanyl-octanoic acid Openeye Name: 2-hexyl-2-sulfanyl-octanoic acid CAS Name: 2-hexyl-2-mercaptooctanoic acid IUPAC Name: 2-hexyl-2-sulfanyloctanoic acid Traditional Name: 2-hexyl-2-mercapto-caprylic acid Formula: C14H28O2S MolecularWeight: 260.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C(=O)O)S

Isomeric SMILES

CCCCCCC(CCCCCC)(C(=O)O)S

InChI

InChI=1S/C14H28O2S/c1-3-5-7-9-11-14(17,13(15)16)12-10-8-6-4-2/h17H,3-12H2,1-2H3,(H,15,16)