3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]propanoate CAS Name: 3-[(4-propan-2-ylphenyl)methylthio]propanoate IUPAC Name: 3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-isopropylbenzyl)thio]propionate Formula: C13H17O2S- MolecularWeight: 237.33788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-10(2)12-5-3-11(4-6-12)9-16-8-7-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)/p-1