2-octan-3-ylsulfanyl-2-oxidanyl-ethanoic acid

Systemtic Name: 2-octan-3-ylsulfanyl-2-oxidanyl-ethanoic acid Openeye Name: 2-(1-ethylhexylsulfanyl)-2-hydroxy-acetic acid CAS Name: 2-hydroxy-2-(octan-3-ylthio)acetic acid IUPAC Name: 2-hydroxy-2-octan-3-ylsulfanylacetic acid Traditional Name: 2-(1-ethylhexylthio)-2-hydroxy-acetic acid Formula: C10H20O3S MolecularWeight: 220.329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)SC(C(=O)O)O

Isomeric SMILES

CCCCCC(CC)SC(C(=O)O)O

InChI

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