2-[2-(carboxymethylsulfanyl)octan-2-ylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)octan-2-ylsulfanyl]ethanoic acid Openeye Name: 2-[1-(carboxymethylsulfanyl)-1-methyl-heptyl]sulfanylacetic acid CAS Name: 2-[2-(carboxymethylthio)octan-2-ylthio]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)octan-2-ylsulfanyl]acetic acid Traditional Name: 2-[[1-(carboxymethylthio)-1-methyl-heptyl]thio]acetic acid Formula: C12H22O4S2 MolecularWeight: 294.43068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCC(C)(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C12H22O4S2/c1-3-4-5-6-7-12(2,17-8-10(13)14)18-9-11(15)16/h3-9H2,1-2H3,(H,13,14)(H,15,16)