4,6-ditert-butylbicyclo[3.1.1]hepta-1(7),2,4-triene hydrate

Systemtic Name: 4,6-ditert-butylbicyclo[3.1.1]hepta-1(7),2,4-triene hydrate Openeye Name: 4,6-ditert-butylbicyclo[3.1.1]hepta-1(7),2,4-triene hydrate CAS Name: 4,6-ditert-butylbicyclo[3.1.1]hepta-1(7),2,4-triene hydrate IUPAC Name: 4,6-ditert-butylbicyclo[3.1.1]hepta-1(7),2,4-triene hydrate Traditional Name: 4,6-ditert-butylbicyclo[3.1.1]hepta-1(7),2,4-triene hydrate Formula: C15H24O MolecularWeight: 220.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=CC1=C(C=C2)C(C)(C)C.O

Isomeric SMILES

CC(C)(C)C1C2=CC1=C(C=C2)C(C)(C)C.O

InChI

InChI=1S/C15H22.H2O/c1-14(2,3)12-8-7-10-9-11(12)13(10)15(4,5)6;/h7-9,13H,1-6H3;1H2