2-(carboxymethylsulfanyl)-2-ethyl-hexanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-2-ethyl-hexanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-2-ethyl-hexanoic acid CAS Name: 2-(carboxymethylthio)-2-ethylhexanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-2-ethylhexanoic acid Traditional Name: 2-(carboxymethylthio)-2-ethyl-hexanoic acid Formula: C10H18O4S MolecularWeight: 234.31252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCC(CC)(C(=O)O)SCC(=O)O

InChI

InChI=1S/C10H18O4S/c1-3-5-6-10(4-2,9(13)14)15-7-8(11)12/h3-7H2,1-2H3,(H,11,12)(H,13,14)