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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C2S1)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C2S1)C3=CC=C(C=C3)Br

InChI

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