1-(bromomethyl)-4-propyl-3,4-dihydro-1H-isothiochromene-6,7-diol

Systemtic Name: 1-(bromomethyl)-4-propyl-3,4-dihydro-1H-isothiochromene-6,7-diol Openeye Name: 1-(bromomethyl)-4-propyl-isothiochromane-6,7-diol CAS Name: 1-(bromomethyl)-4-propyl-3,4-dihydro-1H-2-benzothiopyran-6,7-diol IUPAC Name: 1-(bromomethyl)-4-propyl-3,4-dihydro-1H-isothiochromene-6,7-diol Traditional Name: 1-(bromomethyl)-4-propyl-isothiochroman-6,7-diol Formula: C13H17BrO2S MolecularWeight: 317.24188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CSC(C2=CC(=C(C=C12)O)O)CBr

Isomeric SMILES

CCCC1CSC(C2=CC(=C(C=C12)O)O)CBr

InChI

InChI=1S/C13H17BrO2S/c1-2-3-8-7-17-13(6-14)10-5-12(16)11(15)4-9(8)10/h4-5,8,13,15-16H,2-3,6-7H2,1H3