3,3-dimethylbutyl 4-[2-(2-hydroxyphenyl)ethynyl]benzoate

Systemtic Name: 3,3-dimethylbutyl 4-[2-(2-hydroxyphenyl)ethynyl]benzoate Openeye Name: 3,3-dimethylbutyl 4-[2-(2-hydroxyphenyl)ethynyl]benzoate CAS Name: 4-[2-(2-hydroxyphenyl)ethynyl]benzoic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 4-[2-(2-hydroxyphenyl)ethynyl]benzoate Traditional Name: 4-[2-(2-hydroxyphenyl)ethynyl]benzoic acid 3,3-dimethylbutyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2O

Isomeric SMILES

CC(C)(C)CCOC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2O

InChI

InChI=1S/C21H22O3/c1-21(2,3)14-15-24-20(23)18-12-9-16(10-13-18)8-11-17-6-4-5-7-19(17)22/h4-7,9-10,12-13,22H,14-15H2,1-3H3