1,4-ditert-butyl-7-ethynyl-cyclohepta-1,3,5-triene

Systemtic Name: 1,4-ditert-butyl-7-ethynyl-cyclohepta-1,3,5-triene Openeye Name: 1,4-ditert-butyl-7-ethynyl-cyclohepta-1,3,5-triene CAS Name: 1,4-ditert-butyl-7-ethynylcyclohepta-1,3,5-triene IUPAC Name: 1,4-ditert-butyl-7-ethynylcyclohepta-1,3,5-triene Traditional Name: 1,4-ditert-butyl-7-ethynyl-cyclohepta-1,3,5-triene Formula: C17H24 MolecularWeight: 228.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C(C=C1)C#C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C(C=C1)C#C)C(C)(C)C

InChI

InChI=1S/C17H24/c1-8-13-9-10-14(16(2,3)4)11-12-15(13)17(5,6)7/h1,9-13H,2-7H3