2-tert-butylbicyclo[2.2.1]hept-4-ene-2-carboxylate; 2-ethyladamantane; furan-2,5-dione

Systemtic Name: 2-tert-butylbicyclo[2.2.1]hept-4-ene-2-carboxylate; 2-ethyladamantane; furan-2,5-dione Openeye Name: 2-tert-butylbicyclo[2.2.1]hept-4-ene-2-carboxylate; 2-ethyladamantane; furan-2,5-dione CAS Name: 2-tert-butyl-2-bicyclo[2.2.1]hept-4-enecarboxylate; 2-ethyladamantane; furan-2,5-dione IUPAC Name: 2-tert-butylbicyclo[2.2.1]hept-4-ene-2-carboxylate; 2-ethyladamantane; furan-2,5-dione Traditional Name: 2-tert-butylbicyclo[2.2.1]hept-4-ene-2-carboxylate; 2-ethyladamantane; furan-2,5-quinone Formula: C28H39O5- MolecularWeight: 455.60626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC3CC(C2)CC1C3.CC(C)(C)C1(CC2=CCC1C2)C(=O)[O-].C1=CC(=O)OC1=O

Isomeric SMILES

CCC1C2CC3CC(C2)CC1C3.CC(C)(C)C1(CC2=CCC1C2)C(=O)[O-].C1=CC(=O)OC1=O

InChI

InChI=1S/C12H18O2.C12H20.C4H2O3/c1-11(2,3)12(10(13)14)7-8-4-5-9(12)6-8;1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;5-3-1-2-4(6)7-3/h4,9H,5-7H2,1-3H3,(H,13,14);8-12H,2-7H2,1H3;1-2H/p-1