2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate

Systemtic Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]ethanoate Openeye Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]acetate CAS Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]-3-pyridazinyl]acetate IUPAC Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]pyridazin-3-yl]acetate Traditional Name: 2-[6-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]pyridazin-3-yl]acetate Formula: C27H33N2O3- MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)[O-])C(CC(O2)(C)C)(C)C

InChI

InChI=1S/C27H34N2O3/c1-6-7-8-9-10-19-16-24-23(26(2,3)18-27(4,5)32-24)15-20(19)11-12-21-13-14-22(29-28-21)17-25(30)31/h13-16H,6-10,17-18H2,1-5H3,(H,30,31)/p-1