5-(2-ethylhexoxy)bicyclo[2.2.2]octa-1(6),4,7-trien-2-yne

Systemtic Name: 5-(2-ethylhexoxy)bicyclo[2.2.2]octa-1(6),4,7-trien-2-yne Openeye Name: 5-(2-ethylhexoxy)bicyclo[2.2.2]octa-1(6),4,7-trien-2-yne CAS Name: 5-(2-ethylhexoxy)bicyclo[2.2.2]octa-1(6),4,7-trien-2-yne IUPAC Name: 5-(2-ethylhexoxy)bicyclo[2.2.2]octa-1(6),4,7-trien-2-yne Traditional Name: 5-(2-ethylhexoxy)bicyclo[2.2.2]octa-1(6),4,7-trien-2-yne Formula: C16H20O MolecularWeight: 228.3294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=C2C=CC(=C1)C#C2

Isomeric SMILES

CCCCC(CC)COC1=C2C=CC(=C1)C#C2

InChI

InChI=1S/C16H20O/c1-3-5-6-13(4-2)12-17-16-11-14-7-9-15(16)10-8-14/h7,9,11,13H,3-6,12H2,1-2H3