methane; 2-(1-phenylethoxy)butane-1-thiol

Systemtic Name: methane; 2-(1-phenylethoxy)butane-1-thiol Openeye Name: methane; 2-(1-phenylethoxy)butane-1-thiol CAS Name: methane; 2-(1-phenylethoxy)-1-butanethiol IUPAC Name: methane; 2-(1-phenylethoxy)butane-1-thiol Traditional Name: methane; 2-(1-phenylethoxy)butane-1-thiol Formula: C13H22OS MolecularWeight: 226.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCC(CS)OC(C)C1=CC=CC=C1

Isomeric SMILES

C.CCC(CS)OC(C)C1=CC=CC=C1

InChI

InChI=1S/C12H18OS.CH4/c1-3-12(9-14)13-10(2)11-7-5-4-6-8-11;/h4-8,10,12,14H,3,9H2,1-2H3;1H4