2-(8-bromanyloctyl)-3-ethyl-1,4-dithiane-2-carboxylate

Systemtic Name: 2-(8-bromanyloctyl)-3-ethyl-1,4-dithiane-2-carboxylate Openeye Name: 2-(8-bromooctyl)-3-ethyl-1,4-dithiane-2-carboxylate CAS Name: 2-(8-bromooctyl)-3-ethyl-1,4-dithiane-2-carboxylate IUPAC Name: 2-(8-bromooctyl)-3-ethyl-1,4-dithiane-2-carboxylate Traditional Name: 2-(8-bromooctyl)-3-ethyl-1,4-dithiane-2-carboxylate Formula: C15H26BrO2S2- MolecularWeight: 382.39974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(SCCS1)(CCCCCCCCBr)C(=O)[O-]

Isomeric SMILES

CCC1C(SCCS1)(CCCCCCCCBr)C(=O)[O-]

InChI

InChI=1S/C15H27BrO2S2/c1-2-13-15(14(17)18,20-12-11-19-13)9-7-5-3-4-6-8-10-16/h13H,2-12H2,1H3,(H,17,18)/p-1