4-[2-[6-[2-(4-nitrophenyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol dihydrobromide

Systemtic Name: 4-[2-[6-[2-(4-nitrophenyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol dihydrobromide Openeye Name: 4-[2-[6-[2-(4-nitrophenyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol dihydrobromide CAS Name: 4-[2-[6-[2-(4-nitrophenyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol dihydrobromide IUPAC Name: 4-[2-[6-[2-(4-nitrophenyl)ethylamino]hexylamino]ethyl]benzene-1,2-diol dihydrobromide Traditional Name: 4-[2-[6-[2-(4-nitrophenyl)ethylamino]hexylamino]ethyl]pyrocatechol dihydrobromide Formula: C22H33Br2N3O4 MolecularWeight: 563.32312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNCCCCCCNCCC2=CC(=C(C=C2)O)O)[N+](=O)[O-].Br.Br

Isomeric SMILES

C1=CC(=CC=C1CCNCCCCCCNCCC2=CC(=C(C=C2)O)O)[N+](=O)[O-].Br.Br

InChI

InChI=1S/C22H31N3O4.2BrH/c26-21-10-7-19(17-22(21)27)12-16-24-14-4-2-1-3-13-23-15-11-18-5-8-20(9-6-18)25(28)29;;/h5-10,17,23-24,26-27H,1-4,11-16H2;2*1H