2-(3,5,5-trimethylhexylsulfanyl)ethanoic acid

Systemtic Name: 2-(3,5,5-trimethylhexylsulfanyl)ethanoic acid Openeye Name: 2-(3,5,5-trimethylhexylsulfanyl)acetic acid CAS Name: 2-(3,5,5-trimethylhexylthio)acetic acid IUPAC Name: 2-(3,5,5-trimethylhexylsulfanyl)acetic acid Traditional Name: 2-(3,5,5-trimethylhexylthio)acetic acid Formula: C11H22O2S MolecularWeight: 218.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSCC(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCSCC(=O)O)CC(C)(C)C

InChI

InChI=1S/C11H22O2S/c1-9(7-11(2,3)4)5-6-14-8-10(12)13/h9H,5-8H2,1-4H3,(H,12,13)