ethane-1,2-diol; hexanedioic acid; hydrate

Systemtic Name: ethane-1,2-diol; hexanedioic acid; hydrate Openeye Name: adipic acid; ethylene glycol; hydrate CAS Name: ethane-1,2-diol; hexanedioic acid; hydrate IUPAC Name: ethane-1,2-diol; hexanedioic acid; hydrate Traditional Name: adipic acid; ethylene glycol; hydrate Formula: C8H18O7 MolecularWeight: 226.22432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C2H6O2.H2O/c7-5(8)3-1-2-4-6(9)10;3-1-2-4;/h1-4H2,(H,7,8)(H,9,10);3-4H,1-2H2;1H2