2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanoate Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]acetate CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]acetate IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-isopropylbenzyl)thio]acetate Formula: C12H15O2S- MolecularWeight: 223.3113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSCC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSCC(=O)[O-]

InChI

InChI=1S/C12H16O2S/c1-9(2)11-5-3-10(4-6-11)7-15-8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)/p-1