4-[[(2S)-butan-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[(2S)-butan-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[(1S)-1-methylpropyl]sulfanylmethyl]benzoate CAS Name: 4-[[[(2S)-butan-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[(2S)-butan-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(1S)-1-methylpropyl]thio]methyl]benzoate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)SCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H16O2S/c1-3-9(2)15-8-10-4-6-11(7-5-10)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)/p-1/t9-/m0/s1