2-(1-hexan-2-ylsulfonylethyl)-5-(2-methylheptan-2-yl)benzenethiol

Systemtic Name: 2-(1-hexan-2-ylsulfonylethyl)-5-(2-methylheptan-2-yl)benzenethiol Openeye Name: 5-(1,1-dimethylhexyl)-2-[1-(1-methylpentylsulfonyl)ethyl]benzenethiol CAS Name: 2-(1-hexan-2-ylsulfonylethyl)-5-(2-methylheptan-2-yl)benzenethiol IUPAC Name: 2-(1-hexan-2-ylsulfonylethyl)-5-(2-methylheptan-2-yl)benzenethiol Traditional Name: 5-(1,1-dimethylhexyl)-2-[1-(1-methylpentylsulfonyl)ethyl]benzenethiol Formula: C22H38O2S2 MolecularWeight: 398.66592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)C(C)S(=O)(=O)C(C)CCCC)S

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)C(C)S(=O)(=O)C(C)CCCC)S

InChI

InChI=1S/C22H38O2S2/c1-7-9-11-15-22(5,6)19-13-14-20(21(25)16-19)18(4)26(23,24)17(3)12-10-8-2/h13-14,16-18,25H,7-12,15H2,1-6H3