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

Systemtic Name: ethane-1,2-diol; terephthalic acid; hydrate Openeye Name: ethylene glycol; terephthalic acid; hydrate CAS Name: ethane-1,2-diol; terephthalic acid; hydrate IUPAC Name: ethane-1,2-diol; terephthalic acid; hydrate Traditional Name: ethylene glycol; terephthalic acid; hydrate Formula: C10H14O7 MolecularWeight: 246.21396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O.O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)O.C(CO)O.O

InChI

InChI=1S/C8H6O4.C2H6O2.H2O/c9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4;/h1-4H,(H,9,10)(H,11,12);3-4H,1-2H2;1H2