1,6,7,8,9-pentakis(bromanyl)-4-butyl-dibenzo-p-dioxin-2,3-diol

Systemtic Name: 1,6,7,8,9-pentakis(bromanyl)-4-butyl-dibenzo-p-dioxin-2,3-diol Openeye Name: 1,6,7,8,9-pentabromo-4-butyl-dibenzo-p-dioxin-2,3-diol CAS Name: 1,6,7,8,9-pentabromo-4-butyldibenzo-p-dioxin-2,3-diol IUPAC Name: 1,6,7,8,9-pentabromo-4-butyldibenzo-p-dioxin-2,3-diol Traditional Name: 1,6,7,8,9-pentabromo-4-butyl-dibenzo-p-dioxin-2,3-diol Formula: C16H11Br5O4 MolecularWeight: 666.77614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C(=C1O)O)Br)OC3=C(O2)C(=C(C(=C3Br)Br)Br)Br

Isomeric SMILES

CCCCC1=C2C(=C(C(=C1O)O)Br)OC3=C(O2)C(=C(C(=C3Br)Br)Br)Br

InChI

InChI=1S/C16H11Br5O4/c1-2-3-4-5-11(22)12(23)10(21)16-13(5)24-14-8(19)6(17)7(18)9(20)15(14)25-16/h22-23H,2-4H2,1H3