3-(2-methylhexan-2-ylsulfanyl)propanoic acid

Systemtic Name: 3-(2-methylhexan-2-ylsulfanyl)propanoic acid Openeye Name: 3-(1,1-dimethylpentylsulfanyl)propanoic acid CAS Name: 3-(2-methylhexan-2-ylthio)propanoic acid IUPAC Name: 3-(2-methylhexan-2-ylsulfanyl)propanoic acid Traditional Name: 3-(1,1-dimethylpentylthio)propionic acid Formula: C10H20O2S MolecularWeight: 204.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)SCCC(=O)O

Isomeric SMILES

CCCCC(C)(C)SCCC(=O)O

InChI

InChI=1S/C10H20O2S/c1-4-5-7-10(2,3)13-8-6-9(11)12/h4-8H2,1-3H3,(H,11,12)