3-chloranylbicyclo[2.2.1]hepta-1,3,5-triene; 3-methylbutanoic acid

Systemtic Name: 3-chloranylbicyclo[2.2.1]hepta-1,3,5-triene; 3-methylbutanoic acid Openeye Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-methylbutanoic acid CAS Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-methylbutanoic acid IUPAC Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-methylbutanoic acid Traditional Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-triene; 3-methylbutyric acid Formula: C12H15ClO2 MolecularWeight: 226.6993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)O.C1C2=CC(=C1C=C2)Cl

Isomeric SMILES

CC(C)CC(=O)O.C1C2=CC(=C1C=C2)Cl

InChI

InChI=1S/C7H5Cl.C5H10O2/c8-7-4-5-1-2-6(7)3-5;1-4(2)3-5(6)7/h1-2,4H,3H2;4H,3H2,1-2H3,(H,6,7)