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

Systemtic Name: 2-[4-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: 2-[4-[2-(4,4,7-triethylchroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4,7-triethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]phenyl]acetate IUPAC Name: 2-[4-[2-(4,4,7-triethyl-2,3-dihydrochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4,7-triethylchroman-6-yl)ethynyl]phenyl]acetate Formula: C25H27O3- MolecularWeight: 375.48008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)[O-])C(CCO2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)[O-])C(CCO2)(CC)CC

InChI

InChI=1S/C25H28O3/c1-4-20-17-23-22(25(5-2,6-3)13-14-28-23)16-21(20)12-11-18-7-9-19(10-8-18)15-24(26)27/h7-10,16-17H,4-6,13-15H2,1-3H3,(H,26,27)/p-1