[2-[2-(4-tert-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-[2-(4-tert-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxy-phenyl] ethanoate Openeye Name: [2-[2-(4-tert-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-[2-(4-tert-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxyphenyl] ester IUPAC Name: [2-[2-(4-tert-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-4-methylol-phenyl] ester Formula: C22H24O4 MolecularWeight: 352.42356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C#CC2=CC=C(C=C2)C(C)(C)C)CO)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C#CC2=CC=C(C=C2)C(C)(C)C)CO)OC

InChI

InChI=1S/C22H24O4/c1-15(24)26-21-18(12-17(14-23)13-20(21)25-5)9-6-16-7-10-19(11-8-16)22(2,3)4/h7-8,10-13,23H,14H2,1-5H3