3-butyl-3-(4-methoxyphenyl)sulfonyl-cyclohexane-1-thiol

Systemtic Name: 3-butyl-3-(4-methoxyphenyl)sulfonyl-cyclohexane-1-thiol Openeye Name: 3-butyl-3-(4-methoxyphenyl)sulfonyl-cyclohexanethiol CAS Name: 3-butyl-3-(4-methoxyphenyl)sulfonyl-1-cyclohexanethiol IUPAC Name: 3-butyl-3-(4-methoxyphenyl)sulfonylcyclohexane-1-thiol Traditional Name: 3-butyl-3-(4-methoxyphenyl)sulfonyl-cyclohexanethiol Formula: C17H26O3S2 MolecularWeight: 342.51654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCC(C1)S)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC1(CCCC(C1)S)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H26O3S2/c1-3-4-11-17(12-5-6-15(21)13-17)22(18,19)16-9-7-14(20-2)8-10-16/h7-10,15,21H,3-6,11-13H2,1-2H3