4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoate

Systemtic Name: 4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoate Openeye Name: 4-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethynyl]benzoate IUPAC Name: 4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,2,4,4-tetramethylchroman-6-yl)ethynyl]benzoate Formula: C22H21O3- MolecularWeight: 333.40034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(OC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)[O-])(C)C)C

InChI

InChI=1S/C22H22O3/c1-21(2)14-22(3,4)25-19-12-9-16(13-18(19)21)6-5-15-7-10-17(11-8-15)20(23)24/h7-13H,14H2,1-4H3,(H,23,24)/p-1