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

Systemtic Name: 2-[4-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: 2-[4-[2-(4,4-diethylchroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-diethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]acetate IUPAC Name: 2-[4-[2-(4,4-diethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4-diethylchroman-6-yl)ethynyl]phenyl]acetate Formula: C23H23O3- MolecularWeight: 347.42692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCOC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)[O-])CC

InChI

InChI=1S/C23H24O3/c1-3-23(4-2)13-14-26-21-12-11-18(15-20(21)23)8-5-17-6-9-19(10-7-17)16-22(24)25/h6-7,9-12,15H,3-4,13-14,16H2,1-2H3,(H,24,25)/p-1