3,4-ditert-butylbicyclo[3.1.0]hexa-1(6),2,4-triene; propanoate

Systemtic Name: 3,4-ditert-butylbicyclo[3.1.0]hexa-1(6),2,4-triene; propanoate Openeye Name: 3,4-ditert-butylbicyclo[3.1.0]hexa-1(6),2,4-triene; propanoate CAS Name: 3,4-ditert-butylbicyclo[3.1.0]hexa-1(6),2,4-triene; propanoate IUPAC Name: 3,4-ditert-butylbicyclo[3.1.0]hexa-1(6),2,4-triene; propanoate Traditional Name: 3,4-ditert-butylbicyclo[3.1.0]hexa-1(6),2,4-triene; propionate Formula: C17H25O2- MolecularWeight: 261.3792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].CC(C)(C)C1=CC2=CC2=C1C(C)(C)C

Isomeric SMILES

CCC(=O)[O-].CC(C)(C)C1=CC2=CC2=C1C(C)(C)C

InChI

InChI=1S/C14H20.C3H6O2/c1-13(2,3)11-8-9-7-10(9)12(11)14(4,5)6;1-2-3(4)5/h7-8H,1-6H3;2H2,1H3,(H,4,5)/p-1