3-chloranylbicyclo[2.2.1]hepta-1,3,5-triene; 2-propan-2-ylpropanedioate

Systemtic Name: 3-chloranylbicyclo[2.2.1]hepta-1,3,5-triene; 2-propan-2-ylpropanedioate Openeye Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 2-isopropylpropanedioate CAS Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 2-propan-2-ylpropanedioate IUPAC Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 2-propan-2-ylpropanedioate Traditional Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 2-isopropylmalonate Formula: C13H13ClO4-2 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])C(=O)[O-].C1C2=CC(=C1C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)[O-])C(=O)[O-].C1C2=CC(=C1C=C2)Cl

InChI

InChI=1S/C7H5Cl.C6H10O4/c8-7-4-5-1-2-6(7)3-5;1-3(2)4(5(7)8)6(9)10/h1-2,4H,3H2;3-4H,1-2H3,(H,7,8)(H,9,10)/p-2