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

Systemtic Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(4,4-diethyl-7-hexyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(4,4-diethyl-7-hexyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(4,4-diethyl-7-hexyl-chroman-6-yl)ethynyl]phenyl]acetic acid Formula: C29H36O3 MolecularWeight: 432.59434

Click to see the large picture

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)