furan-2,5-dione; hexanedioic acid; propane-1,2-diol

Systemtic Name: furan-2,5-dione; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; furan-2,5-dione; propane-1,2-diol CAS Name: furan-2,5-dione; hexanedioic acid; propane-1,2-diol IUPAC Name: furan-2,5-dione; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; furan-2,5-quinone; propane-1,2-diol Formula: C13H20O9 MolecularWeight: 320.2925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C4H2O3.C3H8O2/c7-5(8)3-1-2-4-6(9)10;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H2,(H,7,8)(H,9,10);1-2H;3-5H,2H2,1H3