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

Systemtic Name: 3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Openeye Name: 3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide CAS Name: 3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide IUPAC Name: 3-nitro-4-[2-[6-(phenethylamino)hexylamino]ethyl]benzene-1,2-diol dihydrobromide Traditional Name: 3-nitro-4-[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=C(C(=C(C=C2)O)O)[N+](=O)[O-].Br.Br

Isomeric SMILES

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

InChI

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