3-(3,3-dimethylbutylsulfanyl)propanoic acid

Systemtic Name: 3-(3,3-dimethylbutylsulfanyl)propanoic acid Openeye Name: 3-(3,3-dimethylbutylsulfanyl)propanoic acid CAS Name: 3-(3,3-dimethylbutylthio)propanoic acid IUPAC Name: 3-(3,3-dimethylbutylsulfanyl)propanoic acid Traditional Name: 3-(3,3-dimethylbutylthio)propionic acid Formula: C9H18O2S MolecularWeight: 190.30302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCSCCC(=O)O

Isomeric SMILES

CC(C)(C)CCSCCC(=O)O

InChI

InChI=1S/C9H18O2S/c1-9(2,3)5-7-12-6-4-8(10)11/h4-7H2,1-3H3,(H,10,11)