2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: 2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol Openeye Name: adipic acid; fumaric acid; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione CAS Name: (E)-2-butenedioic acid; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; (E)-but-2-enedioic acid; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol Traditional Name: adipic acid; fumaric acid; 2-(2-hydroxyethoxy)ethanol; phthalic anhydride Formula: C22H28O14 MolecularWeight: 516.44932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H4O3.C6H10O4.C4H4O4.C4H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;5-1-3-7-4-2-6/h1-4H;1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);5-6H,1-4H2/b;;2-1+;