benzene-1,3-dicarboxylic acid; furan-2,5-dione; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol Openeye Name: adipic acid; furan-2,5-dione; 2-(2-hydroxyethoxy)ethanol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol Traditional Name: adipic acid; furan-2,5-quinone; 2-(2-hydroxyethoxy)ethanol; isophthalic acid Formula: C22H28O14 MolecularWeight: 516.44932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O

InChI

InChI=1S/C8H6O4.C6H10O4.C4H2O3.C4H10O3/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4(6)7-3;5-1-3-7-4-2-6/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-2H;5-6H,1-4H2