7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-thiol

Systemtic Name: 7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepine-8-thiol Openeye Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-thiol CAS Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-thiol IUPAC Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepine-8-thiol Traditional Name: 7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-thiol Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=C(C=C2OC1)Br)S

Isomeric SMILES

C1COC2=CC(=C(C=C2OC1)Br)S

InChI

InChI=1S/C9H9BrO2S/c10-6-4-7-8(5-9(6)13)12-3-1-2-11-7/h4-5,13H,1-3H2