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

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; octanoic acid Openeye Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; octanoic acid CAS Name: 7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylate; octanoic acid IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; octanoic acid Traditional Name: bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylate; caprylic acid Formula: C16H21O4- MolecularWeight: 277.33554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O2.C8H16O2/c9-8(10)7-5-3-1-2-4-6(5)7;1-2-3-4-5-6-7-8(9)10/h1-4,7H,(H,9,10);2-7H2,1H3,(H,9,10)/p-1