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

Systemtic Name: 3-nitro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Openeye Name: 3-nitro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide CAS Name: 3-nitro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide IUPAC Name: 3-nitro-5-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Traditional Name: 3-nitro-5-[2-[6-(phenethylamino)hexylamino]ethyl]pyrocatechol dihydrobromide Formula: C22H33Br2N3O4 MolecularWeight: 563.32312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Br.Br

InChI

InChI=1S/C22H31N3O4.2BrH/c26-21-17-19(16-20(22(21)27)25(28)29)11-15-24-13-7-2-1-6-12-23-14-10-18-8-4-3-5-9-18;;/h3-5,8-9,16-17,23-24,26-27H,1-2,6-7,10-15H2;2*1H