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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCC(COC(C)C1=CC=CC=C1)S

Isomeric SMILES

C.CCC(COC(C)C1=CC=CC=C1)S

InChI

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