2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoate

Systemtic Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: 2-[4-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]acetate IUPAC Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4-diethyl-7-hexyl-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(CCO2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)[O-])C(CCO2)(CC)CC

InChI

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