2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol

Systemtic Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol Openeye Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol CAS Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol IUPAC Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol Traditional Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone; 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid; propane-1,2-diol Formula: C21H26Cl6O11 MolecularWeight: 667.14254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.CC(C)(CO)CO.C1=CC(=O)OC1=O.C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

Isomeric SMILES

CC(CO)O.CC(C)(CO)CO.C1=CC(=O)OC1=O.C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C9H4Cl6O4.C5H12O2.C4H2O3.C3H8O2/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-2H,(H,16,17)(H,18,19);6-7H,3-4H2,1-2H3;1-2H;3-5H,2H2,1H3