phthalate pentahydrate

Systemtic Name: phthalate pentahydrate Openeye Name: phthalate pentahydrate CAS Name: phthalate pentahydrate IUPAC Name: phthalate pentahydrate Traditional Name: phthalate pentahydrate Formula: C8H14O9-2 MolecularWeight: 254.19136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].O.O.O.O.O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].O.O.O.O.O

InChI

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