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

Systemtic Name: 7,8-bis(bromanyl)-1,4,6-tripropyl-dibenzo-p-dioxin-2,3-diolate Openeye Name: 7,8-dibromo-1,4,6-tripropyl-dibenzo-p-dioxin-2,3-diolate CAS Name: 7,8-dibromo-1,4,6-tripropyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 7,8-dibromo-1,4,6-tripropyldibenzo-p-dioxin-2,3-diolate Traditional Name: 7,8-dibromo-1,4,6-tripropyl-dibenzo-p-dioxin-2,3-diolate Formula: C21H22Br2O4-2 MolecularWeight: 498.20498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C2=C1OC3=CC(=C(C(=C3O2)CCC)Br)Br)CCC)[O-])[O-]

Isomeric SMILES

CCCC1=C(C(=C(C2=C1OC3=CC(=C(C(=C3O2)CCC)Br)Br)CCC)[O-])[O-]

InChI

InChI=1S/C21H24Br2O4/c1-4-7-11-16(23)14(22)10-15-19(11)27-21-13(9-6-3)18(25)17(24)12(8-5-2)20(21)26-15/h10,24-25H,4-9H2,1-3H3/p-2