6-(bromomethyl)-2-methoxy-5-phenyl-benzo[b][1]benzothiepine

Systemtic Name: 6-(bromomethyl)-2-methoxy-5-phenyl-benzo[b][1]benzothiepine Openeye Name: 6-(bromomethyl)-2-methoxy-5-phenyl-benzo[b][1]benzothiepine CAS Name: 6-(bromomethyl)-2-methoxy-5-phenylbenzo[b][1]benzothiepin IUPAC Name: 6-(bromomethyl)-2-methoxy-5-phenylbenzo[b][1]benzothiepine Traditional Name: 6-(bromomethyl)-2-methoxy-5-phenyl-benzo[b][1]benzothiepin Formula: C22H17BrOS MolecularWeight: 409.33878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(C3=CC=CC=C3S2)CBr)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(C3=CC=CC=C3S2)CBr)C4=CC=CC=C4

InChI

InChI=1S/C22H17BrOS/c1-24-16-11-12-18-21(13-16)25-20-10-6-5-9-17(20)19(14-23)22(18)15-7-3-2-4-8-15/h2-13H,14H2,1H3