3-bromanyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide

Systemtic Name: 3-bromanyl-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Openeye Name: 3-bromo-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide CAS Name: 3-bromo-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide IUPAC Name: 3-bromo-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Traditional Name: 3-bromo-4-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol dihydrobromide Formula: C22H33Br3N2O2 MolecularWeight: 597.22162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O2.2BrH/c23-21-19(10-11-20(26)22(21)27)13-17-25-15-7-2-1-6-14-24-16-12-18-8-4-3-5-9-18;;/h3-5,8-11,24-27H,1-2,6-7,12-17H2;2*1H