2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; propane-1,2-diol; 4,5,6,7-tetrakis(bromanyl)-2-benzofuran-1,3-dione

Systemtic Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; propane-1,2-diol; 4,5,6,7-tetrakis(bromanyl)-2-benzofuran-1,3-dione Openeye Name: ethylene glycol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol; 4,5,6,7-tetrabromoisobenzofuran-1,3-dione CAS Name: ethane-1,2-diol; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol; 4,5,6,7-tetrabromoisobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; furan-2,5-dione; propane-1,2-diol; 4,5,6,7-tetrabromo-2-benzofuran-1,3-dione Traditional Name: ethylene glycol; furan-2,5-quinone; phthalic anhydride; propane-1,2-diol; 4,5,6,7-tetrabromophthalan-1,3-quinone Formula: C25H20Br4O13 MolecularWeight: 848.0345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O.C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O

Isomeric SMILES

CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CO)O.C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O

InChI

InChI=1S/C8Br4O3.C8H4O3.C4H2O3.C3H8O2.C2H6O2/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11;9-7-5-3-1-2-4-6(5)8(10)11-7;5-3-1-2-4(6)7-3;1-3(5)2-4;3-1-2-4/h;1-4H;1-2H;3-5H,2H2,1H3;3-4H,1-2H2