oxepine-2-carboxylate hydrate dihydrochloride

Systemtic Name: oxepine-2-carboxylate hydrate dihydrochloride Openeye Name: oxepine-2-carboxylate hydrate dihydrochloride CAS Name: 2-oxepincarboxylate hydrate dihydrochloride IUPAC Name: oxepine-2-carboxylate hydrate dihydrochloride Traditional Name: oxepin-2-carboxylate hydrate dihydrochloride Formula: C7H9Cl2O4- MolecularWeight: 228.04996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O3.2ClH.H2O/c8-7(9)6-4-2-1-3-5-10-6;;;/h1-5H,(H,8,9);2*1H;1H2/p-1