benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2-(chloromethyl)oxirane

Systemtic Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2-(chloromethyl)oxirane Openeye Name: 2-(chloromethyl)oxirane; isobenzofuran-1,3-dione; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2-(chloromethyl)oxirane; isobenzofuran-1,3-dione IUPAC Name: benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; 2-(chloromethyl)oxirane Traditional Name: 2-(chloromethyl)oxirane; isophthalic acid; phthalic anhydride Formula: C19H15ClO8 MolecularWeight: 406.7706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)CCl.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1C(O1)CCl.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C8H4O3.C3H5ClO/c9-7(10)5-2-1-3-6(4-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;4-1-3-2-5-3/h1-4H,(H,9,10)(H,11,12);1-4H;3H,1-2H2