3-(4-methoxyphenyl)sulfonylhexane-1-thiol

Systemtic Name: 3-(4-methoxyphenyl)sulfonylhexane-1-thiol Openeye Name: 3-(4-methoxyphenyl)sulfonylhexane-1-thiol CAS Name: 3-(4-methoxyphenyl)sulfonyl-1-hexanethiol IUPAC Name: 3-(4-methoxyphenyl)sulfonylhexane-1-thiol Traditional Name: 3-(4-methoxyphenyl)sulfonylhexane-1-thiol Formula: C13H20O3S2 MolecularWeight: 288.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCS)S(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCC(CCS)S(=O)(=O)C1=CC=C(C=C1)OC

InChI

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