6,7-bis(bromanyl)-1,4,8,9-tetrabutyl-dibenzo-p-dioxin-2,3-diolate

Systemtic Name: 6,7-bis(bromanyl)-1,4,8,9-tetrabutyl-dibenzo-p-dioxin-2,3-diolate Openeye Name: 6,7-dibromo-1,4,8,9-tetrabutyl-dibenzo-p-dioxin-2,3-diolate CAS Name: 6,7-dibromo-1,4,8,9-tetrabutyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 6,7-dibromo-1,4,8,9-tetrabutyldibenzo-p-dioxin-2,3-diolate Traditional Name: 6,7-dibromo-1,4,8,9-tetrabutyl-dibenzo-p-dioxin-2,3-diolate Formula: C28H36Br2O4-2 MolecularWeight: 596.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=C1OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC)Br)Br)CCCC

Isomeric SMILES

CCCCC1=C(C(=C(C2=C1OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC)Br)Br)CCCC

InChI

InChI=1S/C28H38Br2O4/c1-5-9-13-17-18(14-10-6-2)25-28(22(30)21(17)29)34-27-20(16-12-8-4)24(32)23(31)19(15-11-7-3)26(27)33-25/h31-32H,5-16H2,1-4H3/p-2