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6-bromanyl-1,4,7,8,9-pentabutyl-dibenzo-p-dioxin-2,3-diolate

6-bromanyl-1,4,7,8,9-pentabutyl-dibenzo-p-dioxin-2,3-diolate

Systemtic Name:6-bromanyl-1,4,7,8,9-pentabutyl-dibenzo-p-dioxin-2,3-diolate
Openeye Name:6-bromo-1,4,7,8,9-pentabutyl-dibenzo-p-dioxin-2,3-diolate
CAS Name:6-bromo-1,4,7,8,9-pentabutyldibenzo-p-dioxin-2,3-diolate
IUPAC Name:6-bromo-1,4,7,8,9-pentabutyldibenzo-p-dioxin-2,3-diolate
Traditional Name:6-bromo-1,4,7,8,9-pentabutyl-dibenzo-p-dioxin-2,3-diolate
Formula: C32H45BrO4-2
MolecularWeight: 573.6013
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C(=C1CCCC)Br)OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC)CCCC


Isomeric SMILES

CCCCC1=C(C2=C(C(=C1CCCC)Br)OC3=C(O2)C(=C(C(=C3CCCC)[O-])[O-])CCCC)CCCC


InChI

InChI=1S/C32H47BrO4/c1-6-11-16-21-22(17-12-7-2)26(33)32-29(23(21)18-13-8-3)36-30-24(19-14-9-4)27(34)28(35)25(20-15-10-5)31(30)37-32/h34-35H,6-20H2,1-5H3/p-2


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