3-(4-butoxyphenyl)sulfonylpropane-1-thiol

Systemtic Name: 3-(4-butoxyphenyl)sulfonylpropane-1-thiol Openeye Name: 3-(4-butoxyphenyl)sulfonylpropane-1-thiol CAS Name: 3-(4-butoxyphenyl)sulfonyl-1-propanethiol IUPAC Name: 3-(4-butoxyphenyl)sulfonylpropane-1-thiol Traditional Name: 3-(4-butoxyphenyl)sulfonylpropane-1-thiol Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)CCCS

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)CCCS

InChI

InChI=1S/C13H20O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,2-4,9-11H2,1H3