2-butan-2-ylsulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-butan-2-ylsulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-phenyl-2-sec-butylsulfanyl-acetic acid CAS Name: 2-(butan-2-ylthio)-2-phenylacetic acid IUPAC Name: 2-butan-2-ylsulfanyl-2-phenylacetic acid Traditional Name: 2-phenyl-2-(sec-butylthio)acetic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(C)SC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H16O2S/c1-3-9(2)15-11(12(13)14)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,13,14)