6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide

Systemtic Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide Openeye Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide CAS Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrate hydrobromide IUPAC Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide Traditional Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrate hydrobromide Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CC2=CC(=C(C=C2SC3=CC=CC=C13)O)O.O.Br

Isomeric SMILES

CNC1CC2=CC(=C(C=C2SC3=CC=CC=C13)O)O.O.Br

InChI

InChI=1S/C15H15NO2S.BrH.H2O/c1-16-11-6-9-7-12(17)13(18)8-15(9)19-14-5-3-2-4-10(11)14;;/h2-5,7-8,11,16-18H,6H2,1H3;1H;1H2