8-bromanyl-1,4,6,7-tetrabutyl-dibenzo-p-dioxin-2,3-diolate

Systemtic Name: 8-bromanyl-1,4,6,7-tetrabutyl-dibenzo-p-dioxin-2,3-diolate Openeye Name: 8-bromo-1,4,6,7-tetrabutyl-dibenzo-p-dioxin-2,3-diolate CAS Name: 8-bromo-1,4,6,7-tetrabutyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 8-bromo-1,4,6,7-tetrabutyldibenzo-p-dioxin-2,3-diolate Traditional Name: 8-bromo-1,4,6,7-tetrabutyl-dibenzo-p-dioxin-2,3-diolate Formula: C28H37BrO4-2 MolecularWeight: 517.49498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1CCCC)OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC)Br

Isomeric SMILES

CCCCC1=C(C=C2C(=C1CCCC)OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC)Br

InChI

InChI=1S/C28H39BrO4/c1-5-9-13-18-19(14-10-6-2)26-23(17-22(18)29)32-27-20(15-11-7-3)24(30)25(31)21(16-12-8-4)28(27)33-26/h17,30-31H,5-16H2,1-4H3/p-2