bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; hexanoic acid

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; hexanoic acid Openeye Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; hexanoic acid CAS Name: 7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylate; hexanoic acid IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; hexanoic acid Traditional Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; hexanoic acid Formula: C14H17O4- MolecularWeight: 249.28238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.C1=CC=C2C(C2=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC(=O)O.C1=CC=C2C(C2=C1)C(=O)[O-]

InChI

InChI=1S/C8H6O2.C6H12O2/c9-8(10)7-5-3-1-2-4-6(5)7;1-2-3-4-5-6(7)8/h1-4,7H,(H,9,10);2-5H2,1H3,(H,7,8)/p-1