dibenzoate hydrate

Systemtic Name: dibenzoate hydrate Openeye Name: dibenzoate hydrate CAS Name: dibenzoate hydrate IUPAC Name: dibenzoate hydrate Traditional Name: dibenzoate hydrate Formula: C14H12O5-2 MolecularWeight: 260.24208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2.H2O/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);1H2/p-2