4-(3,4,5-trimethoxyphenyl)butane-1-thiol

Systemtic Name: 4-(3,4,5-trimethoxyphenyl)butane-1-thiol Openeye Name: 4-(3,4,5-trimethoxyphenyl)butane-1-thiol CAS Name: 4-(3,4,5-trimethoxyphenyl)-1-butanethiol IUPAC Name: 4-(3,4,5-trimethoxyphenyl)butane-1-thiol Traditional Name: 4-(3,4,5-trimethoxyphenyl)butane-1-thiol Formula: C13H20O3S MolecularWeight: 256.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCCCS

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCCCS

InChI

InChI=1S/C13H20O3S/c1-14-11-8-10(6-4-5-7-17)9-12(15-2)13(11)16-3/h8-9,17H,4-7H2,1-3H3