phthalic acid dihydrate

Systemtic Name: phthalic acid dihydrate Openeye Name: phthalic acid dihydrate CAS Name: phthalic acid dihydrate IUPAC Name: phthalic acid dihydrate Traditional Name: phthalic acid dihydrate Formula: C16H16O10 MolecularWeight: 368.29224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.2H2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h2*1-4H,(H,9,10)(H,11,12);2*1H2