1-(bromomethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol

Systemtic Name: 1-(bromomethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol Openeye Name: 1-(bromomethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol CAS Name: 1-(bromomethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepin-7,8-diol IUPAC Name: 1-(bromomethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepine-7,8-diol Traditional Name: 1-(bromomethyl)-5-propyl-1,3,4,5-tetrahydro-2-benzothiepin-7,8-diol Formula: C14H19BrO2S MolecularWeight: 331.26846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCSC(C2=CC(=C(C=C12)O)O)CBr

Isomeric SMILES

CCCC1CCSC(C2=CC(=C(C=C12)O)O)CBr

InChI

InChI=1S/C14H19BrO2S/c1-2-3-9-4-5-18-14(8-15)11-7-13(17)12(16)6-10(9)11/h6-7,9,14,16-17H,2-5,8H2,1H3