ethyl 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2-dimethyl-4-phenyl-1-benzopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2-dimethyl-4-phenylchromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,2-dimethyl-4-phenyl-chromen-6-yl)ethynyl]benzoic acid ethyl ester Formula: C28H24O3 MolecularWeight: 408.48836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OC(C=C3C4=CC=CC=C4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)OC(C=C3C4=CC=CC=C4)(C)C

InChI

InChI=1S/C28H24O3/c1-4-30-27(29)23-15-12-20(13-16-23)10-11-21-14-17-26-24(18-21)25(19-28(2,3)31-26)22-8-6-5-7-9-22/h5-9,12-19H,4H2,1-3H3