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

Systemtic Name: 2-[4-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: 2-[4-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(7-hexyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]acetate IUPAC Name: 2-[4-[2-(7-hexyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(7-hexyl-2,2,4,4-tetramethyl-chroman-6-yl)ethynyl]phenyl]acetate Formula: C29H35O3- MolecularWeight: 431.5864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36O3/c1-6-7-8-9-10-23-19-26-25(28(2,3)20-29(4,5)32-26)18-24(23)16-15-21-11-13-22(14-12-21)17-27(30)31/h11-14,18-19H,6-10,17,20H2,1-5H3,(H,30,31)/p-1