4,4-diethyl-6-ethynyl-7-hexyl-2,3-dihydrochromene

Systemtic Name: 4,4-diethyl-6-ethynyl-7-hexyl-2,3-dihydrochromene Openeye Name: 4,4-diethyl-6-ethynyl-7-hexyl-chromane CAS Name: 4,4-diethyl-6-ethynyl-7-hexyl-3,4-dihydro-2H-1-benzopyran IUPAC Name: 4,4-diethyl-6-ethynyl-7-hexyl-2,3-dihydrochromene Traditional Name: 4,4-diethyl-6-ethynyl-7-hexyl-chroman Formula: C21H30O MolecularWeight: 298.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#C)C(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#C)C(CCO2)(CC)CC

InChI

InChI=1S/C21H30O/c1-5-9-10-11-12-18-16-20-19(15-17(18)6-2)21(7-3,8-4)13-14-22-20/h2,15-16H,5,7-14H2,1,3-4H3