3-(3,4-dimethoxyphenyl)-2,2-dimethyl-propane-1-thiol

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-propane-1-thiol Openeye Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-propane-1-thiol CAS Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-propanethiol IUPAC Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethylpropane-1-thiol Traditional Name: 3-(3,4-dimethoxyphenyl)-2,2-dimethyl-propane-1-thiol Formula: C13H20O2S MolecularWeight: 240.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC(=C(C=C1)OC)OC)CS

Isomeric SMILES

CC(C)(CC1=CC(=C(C=C1)OC)OC)CS

InChI

InChI=1S/C13H20O2S/c1-13(2,9-16)8-10-5-6-11(14-3)12(7-10)15-4/h5-7,16H,8-9H2,1-4H3