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

Systemtic Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate dihydrobromide Openeye Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate dihydrobromide CAS Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrate dihydrobromide IUPAC Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate dihydrobromide Traditional Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrate dihydrobromide Formula: C30H34Br2N2O5S2 MolecularWeight: 726.53936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H15NO2S.2BrH.H2O/c2*1-16-11-6-9-7-12(17)13(18)8-15(9)19-14-5-3-2-4-10(11)14;;;/h2*2-5,7-8,11,16-18H,6H2,1H3;2*1H;1H2