2-butyl-2-(2-carboxyethylsulfanylmethyl)hexanoic acid

Systemtic Name: 2-butyl-2-(2-carboxyethylsulfanylmethyl)hexanoic acid Openeye Name: 2-butyl-2-(2-carboxyethylsulfanylmethyl)hexanoic acid CAS Name: 2-butyl-2-[(2-carboxyethylthio)methyl]hexanoic acid IUPAC Name: 2-butyl-2-(2-carboxyethylsulfanylmethyl)hexanoic acid Traditional Name: 2-butyl-2-[(2-carboxyethylthio)methyl]hexanoic acid Formula: C14H26O4S MolecularWeight: 290.41884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CSCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCCC)(CSCCC(=O)O)C(=O)O

InChI

InChI=1S/C14H26O4S/c1-3-5-8-14(13(17)18,9-6-4-2)11-19-10-7-12(15)16/h3-11H2,1-2H3,(H,15,16)(H,17,18)