1-(5-bromanylpentyl)-6,7-dimethoxy-3,4-dihydro-1H-isothiochromene

Systemtic Name: 1-(5-bromanylpentyl)-6,7-dimethoxy-3,4-dihydro-1H-isothiochromene Openeye Name: 1-(5-bromopentyl)-6,7-dimethoxy-isothiochromane CAS Name: 1-(5-bromopentyl)-6,7-dimethoxy-3,4-dihydro-1H-2-benzothiopyran IUPAC Name: 1-(5-bromopentyl)-6,7-dimethoxy-3,4-dihydro-1H-isothiochromene Traditional Name: 1-(5-bromopentyl)-6,7-dimethoxy-isothiochroman Formula: C16H23BrO2S MolecularWeight: 359.32162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(SCCC2=C1)CCCCCBr)OC

Isomeric SMILES

COC1=C(C=C2C(SCCC2=C1)CCCCCBr)OC

InChI

InChI=1S/C16H23BrO2S/c1-18-14-10-12-7-9-20-16(6-4-3-5-8-17)13(12)11-15(14)19-2/h10-11,16H,3-9H2,1-2H3