3-chloranyl-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide

Systemtic Name: 3-chloranyl-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Openeye Name: 3-chloro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide CAS Name: 3-chloro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide IUPAC Name: 3-chloro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Traditional Name: 3-chloro-5-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol dihydrobromide Formula: C22H33Br2ClN2O2 MolecularWeight: 552.77062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C(=C2)Cl)O)O.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C(=C2)Cl)O)O.Br.Br

InChI

InChI=1S/C22H31ClN2O2.2BrH/c23-20-16-19(17-21(26)22(20)27)11-15-25-13-7-2-1-6-12-24-14-10-18-8-4-3-5-9-18;;/h3-5,8-9,16-17,24-27H,1-2,6-7,10-15H2;2*1H