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

Systemtic Name: 1-(4-chloranylbutyl)-6,7-dimethoxy-3,4-dihydro-1H-isothiochromene Openeye Name: 1-(4-chlorobutyl)-6,7-dimethoxy-isothiochromane CAS Name: 1-(4-chlorobutyl)-6,7-dimethoxy-3,4-dihydro-1H-2-benzothiopyran IUPAC Name: 1-(4-chlorobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isothiochromene Traditional Name: 1-(4-chlorobutyl)-6,7-dimethoxy-isothiochroman Formula: C15H21ClO2S MolecularWeight: 300.84404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO2S/c1-17-13-9-11-6-8-19-15(5-3-4-7-16)12(11)10-14(13)18-2/h9-10,15H,3-8H2,1-2H3