bicyclo[4.1.0]hepta-1,3,5-triene; 3-methylbutanoic acid

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-triene; 3-methylbutanoic acid Openeye Name: bicyclo[4.1.0]hepta-1,3,5-triene; 3-methylbutanoic acid CAS Name: bicyclo[4.1.0]hepta-1,3,5-triene; 3-methylbutanoic acid IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-triene; 3-methylbutanoic acid Traditional Name: bicyclo[4.1.0]hepta-1,3,5-triene; 3-methylbutyric acid Formula: C12H16O2 MolecularWeight: 192.25424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)O.C1C2=CC=CC=C21

Isomeric SMILES

CC(C)CC(=O)O.C1C2=CC=CC=C21

InChI

InChI=1S/C7H6.C5H10O2/c1-2-4-7-5-6(7)3-1;1-4(2)3-5(6)7/h1-4H,5H2;4H,3H2,1-2H3,(H,6,7)