ethane-1,2-diol; 2-ethylhexanoic acid; furan-2,5-dione; hexanedioic acid

Systemtic Name: ethane-1,2-diol; 2-ethylhexanoic acid; furan-2,5-dione; hexanedioic acid Openeye Name: adipic acid; ethylene glycol; 2-ethylhexanoic acid; furan-2,5-dione CAS Name: ethane-1,2-diol; 2-ethylhexanoic acid; furan-2,5-dione; hexanedioic acid IUPAC Name: ethane-1,2-diol; 2-ethylhexanoic acid; furan-2,5-dione; hexanedioic acid Traditional Name: adipic acid; ethylene glycol; 2-ethylhexanoic acid; furan-2,5-quinone Formula: C20H34O11 MolecularWeight: 450.47736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O.C(CO)O

Isomeric SMILES

CCCCC(CC)C(=O)O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O.C(CO)O

InChI

InChI=1S/C8H16O2.C6H10O4.C4H2O3.C2H6O2/c1-3-5-6-7(4-2)8(9)10;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4(6)7-3;3-1-2-4/h7H,3-6H2,1-2H3,(H,9,10);1-4H2,(H,7,8)(H,9,10);1-2H;3-4H,1-2H2