2-chloranyl-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate

Systemtic Name: 2-chloranyl-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate Openeye Name: 2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate CAS Name: 2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate IUPAC Name: 2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate Traditional Name: 2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-4-carboxylate Formula: C13H12ClO3- MolecularWeight: 251.68558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CCC2C(C1)C3=C(O2)C(=CC(=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C13H13ClO3/c14-7-5-9-8-3-1-2-4-11(8)17-12(9)10(6-7)13(15)16/h5-6,8,11H,1-4H2,(H,15,16)/p-1