2-(4-bromophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one

Systemtic Name: 2-(4-bromophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Openeye Name: 2-(4-bromophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one CAS Name: 2-(4-bromophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one IUPAC Name: 2-(4-bromophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Traditional Name: 2-(4-bromophenyl)-2,3-dihydro-4,1-benzoxathiepin-5-one Formula: C15H11BrO2S MolecularWeight: 335.21564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C(SC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H11BrO2S/c16-11-7-5-10(6-8-11)14-9-18-15(17)12-3-1-2-4-13(12)19-14/h1-8,14H,9H2